N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C20H32N2O3S — CID 1090427

IUPACN-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C20H32N2O3S/c1-6-7-17(5)21-20(23)18-8-10-22(11-9-18)26(24,25)19-15(3)12-14(2)13-16(19)4/h12-13,17-18H,6-11H2,1-5H3,(H,21,23)/t17-/m0/s1
InChIKeyNYBRBFMDGIVZCU-KRWDZBQOSA-N
MW380.55 g/mol
LogP3.32
Rot. Bonds6

About N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1090427) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1090427
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC NameN-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C20H32N2O3S/c1-6-7-17(5)21-20(23)18-8-10-22(11-9-18)26(24,25)19-15(3)12-14(2)13-16(19)4/h12-13,17-18H,6-11H2,1-5H3,(H,21,23)/t17-/m0/s1
InChIKeyNYBRBFMDGIVZCU-KRWDZBQOSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-[3-oxo-3-(propan-2-ylamino)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55599753
1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 7255930
N-[(1R)-1-naphthalen-1-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 44591958
N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26532730
1-(2,5-dichlorophenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 3157096
N-[(2S)-4-phenylbutan-2-yl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26290785
N-(4-methyl-2-morpholin-4-ylpentyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 43044280
1-(4-ethoxyphenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 18082324
N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55588225
N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990592
N-(2-chlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 21372919
N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3518998

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 1090427) is N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1.
What is the InChIKey of N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is NYBRBFMDGIVZCU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-6-7-17(5)21-20(23)18-8-10-22(11-9-18)26(24,25)19-15(3)12-14(2)13-16(19)4/h12-13,17-18H,6-11H2,1-5H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 380.55 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1090427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).