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

C50H82Cl2F2N12O14S3 — CID 157111997

IUPACtert-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
SMILESC.CC(C)(C)OC(=O)N1CCOC(CN)C1.CC(C)(C)OC(=O)N1CCOC(CNS(C)(=O)=O)C1.CS(=O)(=O)NCC1CN(c2ncnc3ccc(F)cc23)CCO1.CS(=O)(=O)NCC1CNCCO1.Cl.Fc1ccc2ncnc(Cl)c2c1
InChIInChI=1S/C14H17FN4O3S.C11H22N2O5S.C10H20N2O3.C8H4ClFN2.C6H14N2O3S.CH4.ClH/c1-23(20,21)18-7-11-8-19(4-5-22-11)14-12-6-10(15)2-3-13(12)16-9-17-14;1-11(2,3)18-10(14)13-5-6-17-9(8-13)7-12-19(4,15)16;1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;9-8-6-3-5(10)1-2-7(6)11-4-12-8;1-12(9,10)8-5-6-4-7-2-3-11-6;;/h2-3,6,9,11,18H,4-5,7-8H2,1H3;9,12H,5-8H2,1-4H3;8H,4-7,11H2,1-3H3;1-4H;6-8H,2-5H2,1H3;1H4;1H
InChIKeySMYPXOGUWXFWHK-UHFFFAOYSA-N
MW1280.38 g/mol
LogP3.28
Rot. Bonds11

About 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

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 (PubChem CID 157111997) has the molecular formula C50H82Cl2F2N12O14S3 and a molecular weight of 1280.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID157111997
Molecular FormulaC50H82Cl2F2N12O14S3
Molecular Weight1280.38 g/mol
Exact Mass1278.46
IUPAC Nametert-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
SMILESC.CC(C)(C)OC(=O)N1CCOC(CN)C1.CC(C)(C)OC(=O)N1CCOC(CNS(C)(=O)=O)C1.CS(=O)(=O)NCC1CN(c2ncnc3ccc(F)cc23)CCO1.CS(=O)(=O)NCC1CNCCO1.Cl.Fc1ccc2ncnc(Cl)c2c1
InChIInChI=1S/C14H17FN4O3S.C11H22N2O5S.C10H20N2O3.C8H4ClFN2.C6H14N2O3S.CH4.ClH/c1-23(20,21)18-7-11-8-19(4-5-22-11)14-12-6-10(15)2-3-13(12)16-9-17-14;1-11(2,3)18-10(14)13-5-6-17-9(8-13)7-12-19(4,15)16;1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;9-8-6-3-5(10)1-2-7(6)11-4-12-8;1-12(9,10)8-5-6-4-7-2-3-11-6;;/h2-3,6,9,11,18H,4-5,7-8H2,1H3;9,12H,5-8H2,1-4H3;8H,4-7,11H2,1-3H3;1-4H;6-8H,2-5H2,1H3;1H4;1H
InChIKeySMYPXOGUWXFWHK-UHFFFAOYSA-N
XLogP3.28
TPSA327.36 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001280.38
LogP ≤ 53.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

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Related Compounds

Tert-butyl 4-(5,7-di-fluoro-3-methyl-4-(5-(3-(methylsulfonamido)phenyl)-2-morpholinopyridin-4-ylamino)quinolin-2-yl)piperazine-1-carboxylate
CID 66632286
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
Tert-butyl 4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazine-1-carboxylate
CID 87429077
Methyl 4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylate;methyl 4-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperazine-1-carboxylate
CID 87429233
tert-butyl 2-chloro-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;N-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]benzeneamine oxide;N-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(6-methylpyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]benzeneamine oxide;N-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]benzeneamine oxide;methane
CID 157097388

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC(C)(C)OC(=O)N1CCOC(CN)C1.CC(C)(C)OC(=O)N1CCOC(CNS(C)(=O)=O)C1.CS(=O)(=O)NCC1CN(c2ncnc3ccc(F)cc23)CCO1.CS(=O)(=O)NCC1CNCCO1.Cl.Fc1ccc2ncnc(Cl)c2c1.
What is the InChIKey of 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?
The InChIKey is SMYPXOGUWXFWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O3S.C11H22N2O5S.C10H20N2O3.C8H4ClFN2.C6H14N2O3S.CH4.ClH/c1-23(20,21)18-7-11-8-19(4-5-22-11)14-12-6-10(15)2-3-13(12)16-9-17-14;1-11(2,3)18-10(14)13-5-6-17-9(8-13)7-12-19(4,15)16;1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;9-8-6-3-5(10)1-2-7(6)11-4-12-8;1-12(9,10)8-5-6-4-7-2-3-11-6;;/h2-3,6,9,11,18H,4-5,7-8H2,1H3;9,12H,5-8H2,1-4H3;8H,4-7,11H2,1-3H3;1-4H;6-8H,2-5H2,1H3;1H4;1H.
What are the key properties of 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?
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 has a molecular weight of 1280.38 g/mol, XLogP of 3.28, 11 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157111997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).