(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide

C16H24N2O3S — CID 94764138

IUPAC(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1
InChIInChI=1S/C16H24N2O3S/c1-4-17-16(19)14-6-5-9-18(11-14)22(20,21)15-10-12(2)7-8-13(15)3/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeyUQTUWXJNFHUKIQ-AWEZNQCLSA-N
MW324.45 g/mol
LogP1.84
Rot. Bonds4

About (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide

(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide (PubChem CID 94764138) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
PubChem CID94764138
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1
InChIInChI=1S/C16H24N2O3S/c1-4-17-16(19)14-6-5-9-18(11-14)22(20,21)15-10-12(2)7-8-13(15)3/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeyUQTUWXJNFHUKIQ-AWEZNQCLSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 94381355
1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide
CID 133254995
1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 133254996
1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 27234823
(3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779953
(3R)-N-[(2S)-butan-2-yl]-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779925
1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 133254889
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 100779917
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide
CID 100780184
N-(3,5-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254941
N-(2,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254937
N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254979

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide (CID 94764138) is (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide is CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1.
What is the InChIKey of (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide?
The InChIKey is UQTUWXJNFHUKIQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-4-17-16(19)14-6-5-9-18(11-14)22(20,21)15-10-12(2)7-8-13(15)3/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide?
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 94764138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).