N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

C19H29N3O3S — CID 119573994

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(C)(CN)C3CC3)C2)cc1
InChIInChI=1S/C19H29N3O3S/c1-14-5-9-17(10-6-14)26(24,25)22-11-3-4-15(12-22)18(23)21-19(2,13-20)16-7-8-16/h5-6,9-10,15-16H,3-4,7-8,11-13,20H2,1-2H3,(H,21,23)
InChIKeyQFSDNLHFAVGWOX-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.64
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 119573994) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID119573994
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(C)(CN)C3CC3)C2)cc1
InChIInChI=1S/C19H29N3O3S/c1-14-5-9-17(10-6-14)26(24,25)22-11-3-4-15(12-22)18(23)21-19(2,13-20)16-7-8-16/h5-6,9-10,15-16H,3-4,7-8,11-13,20H2,1-2H3,(H,21,23)
InChIKeyQFSDNLHFAVGWOX-UHFFFAOYSA-N
XLogP1.64
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119598801
N-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 5007860
N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119383671
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119573230
(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473935
ethyl (3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884372
ethyl (3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884371
N-[2-(aminomethyl)cyclopentyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119602759
N-[3-(aminomethyl)pentan-3-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 119568726
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119522881
(3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1078490

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 119573994) is N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(C)(CN)C3CC3)C2)cc1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is QFSDNLHFAVGWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-14-5-9-17(10-6-14)26(24,25)22-11-3-4-15(12-22)18(23)21-19(2,13-20)16-7-8-16/h5-6,9-10,15-16H,3-4,7-8,11-13,20H2,1-2H3,(H,21,23).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 119573994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).