N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C17H27N3O3S — CID 120509212

IUPACN-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CN)CC2)cc1C
InChIInChI=1S/C17H27N3O3S/c1-12-4-5-16(10-13(12)2)24(22,23)20-8-6-15(7-9-20)17(21)19-14(3)11-18/h4-5,10,14-15H,6-9,11,18H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyMKUNIVQFBPJBRH-AWEZNQCLSA-N
MW353.49 g/mol
LogP1.17
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 120509212) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID120509212
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CN)CC2)cc1C
InChIInChI=1S/C17H27N3O3S/c1-12-4-5-16(10-13(12)2)24(22,23)20-8-6-15(7-9-20)17(21)19-14(3)11-18/h4-5,10,14-15H,6-9,11,18H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyMKUNIVQFBPJBRH-AWEZNQCLSA-N
XLogP1.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]piperidine-4-carboxamide
CID 122142477
N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 120507976
N-[(2S)-1-aminopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide;hydrochloride
CID 120509042
N-(3-aminopropyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119405837
1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 26695745
N-[(2S)-butan-2-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1092912
N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide;hydrochloride
CID 120505714
N-(3-aminobutyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119495981
N-[(2S)-1-aminopropan-2-yl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 120507992
N-[3-(aminomethyl)pentan-3-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119569489
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430619
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 120509212) is N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CN)CC2)cc1C.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MKUNIVQFBPJBRH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-12-4-5-16(10-13(12)2)24(22,23)20-8-6-15(7-9-20)17(21)19-14(3)11-18/h4-5,10,14-15H,6-9,11,18H2,1-3H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 120509212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).