N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C20H30N2O4S — CID 100649266

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)[C@@H]3CCCC[C@H]3O)CC2)cc1
InChIInChI=1S/C20H30N2O4S/c1-15-7-9-17(10-8-15)27(25,26)22-13-11-16(12-14-22)20(24)21(2)18-5-3-4-6-19(18)23/h7-10,16,18-19,23H,3-6,11-14H2,1-2H3/t18-,19-/m1/s1
InChIKeyGJHZWJNJDQTUAF-RTBURBONSA-N
MW394.54 g/mol
LogP2.16
Rot. Bonds4

About N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 100649266) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID100649266
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)[C@@H]3CCCC[C@H]3O)CC2)cc1
InChIInChI=1S/C20H30N2O4S/c1-15-7-9-17(10-8-15)27(25,26)22-13-11-16(12-14-22)20(24)21(2)18-5-3-4-6-19(18)23/h7-10,16,18-19,23H,3-6,11-14H2,1-2H3/t18-,19-/m1/s1
InChIKeyGJHZWJNJDQTUAF-RTBURBONSA-N
XLogP2.16
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxycyclohexyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
CID 56923228
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-4-carboxamide
CID 27670607
N-cyclohexyl-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 51147994
N-(2-cyanoethyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 8795304
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
N-cyclopropyl-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 55636271
N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 119658992
(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156240
[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride
CID 119435824
3-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207581
N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 26558399
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 6973310

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 100649266) is N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)[C@@H]3CCCC[C@H]3O)CC2)cc1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is GJHZWJNJDQTUAF-RTBURBONSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-15-7-9-17(10-8-15)27(25,26)22-13-11-16(12-14-22)20(24)21(2)18-5-3-4-6-19(18)23/h7-10,16,18-19,23H,3-6,11-14H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 100649266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).