(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide

C14H26N2O3S — CID 94808986

IUPAC(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1S(C)(=O)=O
InChIInChI=1S/C14H26N2O3S/c1-11-7-3-4-8-12(11)15-14(17)13-9-5-6-10-16(13)20(2,18)19/h11-13H,3-10H2,1-2H3,(H,15,17)/t11-,12-,13+/m1/s1
InChIKeyRWAKJJILWLTIIN-UPJWGTAASA-N
MW302.44 g/mol
LogP1.50
Rot. Bonds3

About (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide

(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 94808986) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID94808986
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1S(C)(=O)=O
InChIInChI=1S/C14H26N2O3S/c1-11-7-3-4-8-12(11)15-14(17)13-9-5-6-10-16(13)20(2,18)19/h11-13H,3-10H2,1-2H3,(H,15,17)/t11-,12-,13+/m1/s1
InChIKeyRWAKJJILWLTIIN-UPJWGTAASA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclohexyl-1-methylsulfonylpiperidine-2-carboxamide
CID 31407568
1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 40516825
N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 65309919
(2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124805895
(2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94026393
1-methylsulfonylpiperidine-2-carboxamide
CID 43236894
1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857587
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
(2S)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 95294312
N-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 103280167
2-methyl-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
CID 4084655
(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidine-2-carboxamide
CID 124718845

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 94808986) is (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide is C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1S(C)(=O)=O.
What is the InChIKey of (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is RWAKJJILWLTIIN-UPJWGTAASA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-11-7-3-4-8-12(11)15-14(17)13-9-5-6-10-16(13)20(2,18)19/h11-13H,3-10H2,1-2H3,(H,15,17)/t11-,12-,13+/m1/s1.
What are the key properties of (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide?
(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 94808986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).