N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

C18H29N3O3S — CID 120507976

IUPACN-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CN)CC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-13(2)15-4-6-17(7-5-15)25(23,24)21-10-8-16(9-11-21)18(22)20-14(3)12-19/h4-7,13-14,16H,8-12,19H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyVYLSSBJFBMZGLE-AWEZNQCLSA-N
MW367.52 g/mol
LogP1.67
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 120507976) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID120507976
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CN)CC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-13(2)15-4-6-17(7-5-15)25(23,24)21-10-8-16(9-11-21)18(22)20-14(3)12-19/h4-7,13-14,16H,8-12,19H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyVYLSSBJFBMZGLE-AWEZNQCLSA-N
XLogP1.67
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxypropan-2-yl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 51144176
N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 120509212
N-[1-(4-chlorophenyl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55336180
N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119495455
N-[(2S)-1-aminopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide;hydrochloride
CID 120509042
N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide;hydrochloride
CID 120505714
N-[2-(ethylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119505248
1-(4-propan-2-ylphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
CID 40628999
N-[1-(4-cyanophenyl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55582684
N-[3-(methylamino)propyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 119430099
1-(4-propan-2-ylphenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119450125
1-(4-methylphenyl)sulfonyl-N-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide
CID 3716973

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (CID 120507976) is N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CN)CC2)cc1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is VYLSSBJFBMZGLE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-13(2)15-4-6-17(7-5-15)25(23,24)21-10-8-16(9-11-21)18(22)20-14(3)12-19/h4-7,13-14,16H,8-12,19H2,1-3H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 1.67, 6 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-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 120507976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).