tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-fluoroquinazoline;cyclopropanesulfonyl chloride;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide

C62H96Cl2F2N12O12S4 — CID 163593753

IUPACtert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-fluoroquinazoline;cyclopropanesulfonyl chloride;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide
SMILESCC(C)(C)OC(=O)N1CCCC(CN)C1.CC(C)(C)OC(=O)N1CCCC(CNS(=O)(=O)C2CC2)C1.Fc1ccc2ncnc(Cl)c2c1.O=S(=O)(Cl)C1CC1.O=S(=O)(NCC1CCCN(c2ncnc3ccc(F)cc23)C1)C1CC1.O=S(=O)(NCC1CCCNC1)C1CC1
InChIInChI=1S/C17H21FN4O2S.C14H26N2O4S.C11H22N2O2.C9H18N2O2S.C8H4ClFN2.C3H5ClO2S/c18-13-3-6-16-15(8-13)17(20-11-19-16)22-7-1-2-12(10-22)9-21-25(23,24)14-4-5-14;1-14(2,3)20-13(17)16-8-4-5-11(10-16)9-15-21(18,19)12-6-7-12;1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13;12-14(13,9-3-4-9)11-7-8-2-1-5-10-6-8;9-8-6-3-5(10)1-2-7(6)11-4-12-8;4-7(5,6)3-1-2-3/h3,6,8,11-12,14,21H,1-2,4-5,7,9-10H2;11-12,15H,4-10H2,1-3H3;9H,4-8,12H2,1-3H3;8-11H,1-7H2;1-4H;3H,1-2H2
InChIKeyGRRXJZUYWRIAAY-UHFFFAOYSA-N
MW1438.69 g/mol
LogP8.58
Rot. Bonds15

About tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-fluoroquinazoline;cyclopropanesulfonyl chloride;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide

tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-fluoroquinazoline;cyclopropanesulfonyl chloride;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide (PubChem CID 163593753) has the molecular formula C62H96Cl2F2N12O12S4 and a molecular weight of 1438.69 g/mol. Its IUPAC name is tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-fluoroquinazoline;cyclopropanesulfonyl chloride;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide.

Molecular Properties

Compound Nametert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-fluoroquinazoline;cyclopropanesulfonyl chloride;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide
PubChem CID163593753
Molecular FormulaC62H96Cl2F2N12O12S4
Molecular Weight1438.69 g/mol
Exact Mass1436.55
IUPAC Nametert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-fluoroquinazoline;cyclopropanesulfonyl chloride;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide
SMILESCC(C)(C)OC(=O)N1CCCC(CN)C1.CC(C)(C)OC(=O)N1CCCC(CNS(=O)(=O)C2CC2)C1.Fc1ccc2ncnc(Cl)c2c1.O=S(=O)(Cl)C1CC1.O=S(=O)(NCC1CCCN(c2ncnc3ccc(F)cc23)C1)C1CC1.O=S(=O)(NCC1CCCNC1)C1CC1
InChIInChI=1S/C17H21FN4O2S.C14H26N2O4S.C11H22N2O2.C9H18N2O2S.C8H4ClFN2.C3H5ClO2S/c18-13-3-6-16-15(8-13)17(20-11-19-16)22-7-1-2-12(10-22)9-21-25(23,24)14-4-5-14;1-14(2,3)20-13(17)16-8-4-5-11(10-16)9-15-21(18,19)12-6-7-12;1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13;12-14(13,9-3-4-9)11-7-8-2-1-5-10-6-8;9-8-6-3-5(10)1-2-7(6)11-4-12-8;4-7(5,6)3-1-2-3/h3,6,8,11-12,14,21H,1-2,4-5,7,9-10H2;11-12,15H,4-10H2,1-3H3;9H,4-8,12H2,1-3H3;8-11H,1-7H2;1-4H;3H,1-2H2
InChIKeyGRRXJZUYWRIAAY-UHFFFAOYSA-N
XLogP8.58
TPSA324.58 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001438.69
LogP ≤ 58.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-fluoroquinazoline;cyclopropanesulfonyl chloride;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide with MolForge

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Related Compounds

tert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate;tert-butyl 3-fluoro-3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-7-fluoro-6-isocyanoquinazoline;N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(3-fluoropiperidin-3-yl)methyl]methanesulfonamide;2,2,2-trifluoroacetaldehyde
CID 158247464
tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-methylquinazoline;cyclopropanesulfonyl chloride;methane;N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide;2,2,2-trifluoroacetaldehyde
CID 158696399
tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-methylquinazoline;cyclopropanesulfonyl chloride;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;methane;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide;2,2,2-trifluoroacetaldehyde
CID 159982159
7-bromo-4-chloro-6-fluoroquinazoline;N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(trifluoromethylsulfonylamino)methyl]piperidine-1-carboxylate;1,1,1-trifluoro-N-[[1-(6-fluoro-7-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;bis(1,1,1-trifluoro-N-(piperidin-3-ylmethyl)methanesulfonamide);hydrochloride
CID 160272597
tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclohexylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-(trifluoromethyl)quinazoline;cyclohexyl thiohypochlorite;N-(piperidin-3-ylmethyl)cyclohexanesulfonamide;N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]cyclohexanesulfonamide;dihydrate;hydrochloride
CID 163414173
tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-(trifluoromethyl)quinazoline;cyclopropanesulfonyl chloride;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide;N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]cyclopropanesulfonamide
CID 163508795
benzenesulfonyl chloride;tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-(benzenesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-6-(trifluoromethyl)quinazoline;dichloromethane;N,N-diethylethanamine;N-(piperidin-3-ylmethyl)benzenesulfonamide;N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide
CID 163719769
tert-butyl N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]carbamate;4-chlorobenzenesulfonyl chloride;4-chloro-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide;[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methanamine;hydrochloride
CID 163919675
7-bromo-4-chloro-6-fluoroquinazoline;tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(trifluoromethylsulfonylamino)methyl]piperidine-1-carboxylate;N-[[1-(7-cyano-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide;1,1,1-trifluoro-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;bis(1,1,1-trifluoro-N-(piperidin-3-ylmethyl)methanesulfonamide)
CID 163938323
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;tert-butyl 2-(methanesulfonamidomethyl)morpholine-4-carboxylate;4-chloro-6-fluoroquinazoline;N-[[4-(6-fluoroquinazolin-4-yl)morpholin-2-yl]methyl]methanesulfonamide;methane;N-(morpholin-2-ylmethyl)methanesulfonamide;hydrochloride
CID 157111997
tert-butyl 3-(1-aminoethyl)piperidine-1-carboxylate;tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate;4-chloro-6,7-difluoroquinazoline;N,N-diethylethanamine;N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;methylsulfonylmethane;N-(1-piperidin-3-ylethyl)methanesulfonamide;hydrochloride
CID 157327349
tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-6-fluoroquinazoline;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methanesulfonyl chloride;N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 157478772

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-fluoroquinazoline;cyclopropanesulfonyl chloride;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide?
The IUPAC name of tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-fluoroquinazoline;cyclopropanesulfonyl chloride;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide (CID 163593753) is tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-fluoroquinazoline;cyclopropanesulfonyl chloride;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide.
What is the SMILES notation for tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-fluoroquinazoline;cyclopropanesulfonyl chloride;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide?
The canonical SMILES for tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-fluoroquinazoline;cyclopropanesulfonyl chloride;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide is CC(C)(C)OC(=O)N1CCCC(CN)C1.CC(C)(C)OC(=O)N1CCCC(CNS(=O)(=O)C2CC2)C1.Fc1ccc2ncnc(Cl)c2c1.O=S(=O)(Cl)C1CC1.O=S(=O)(NCC1CCCN(c2ncnc3ccc(F)cc23)C1)C1CC1.O=S(=O)(NCC1CCCNC1)C1CC1.
What is the InChIKey of tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-fluoroquinazoline;cyclopropanesulfonyl chloride;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide?
The InChIKey is GRRXJZUYWRIAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S.C14H26N2O4S.C11H22N2O2.C9H18N2O2S.C8H4ClFN2.C3H5ClO2S/c18-13-3-6-16-15(8-13)17(20-11-19-16)22-7-1-2-12(10-22)9-21-25(23,24)14-4-5-14;1-14(2,3)20-13(17)16-8-4-5-11(10-16)9-15-21(18,19)12-6-7-12;1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13;12-14(13,9-3-4-9)11-7-8-2-1-5-10-6-8;9-8-6-3-5(10)1-2-7(6)11-4-12-8;4-7(5,6)3-1-2-3/h3,6,8,11-12,14,21H,1-2,4-5,7,9-10H2;11-12,15H,4-10H2,1-3H3;9H,4-8,12H2,1-3H3;8-11H,1-7H2;1-4H;3H,1-2H2.
What are the key properties of tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-fluoroquinazoline;cyclopropanesulfonyl chloride;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide?
tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-fluoroquinazoline;cyclopropanesulfonyl chloride;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide has a molecular weight of 1438.69 g/mol, XLogP of 8.58, 15 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-fluoroquinazoline;cyclopropanesulfonyl chloride;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide is sourced from PubChem (CID 163593753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).