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

C18H29N3O3S — CID 120507976

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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