N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide

C19H28N2O3S — CID 9463751

IUPACN-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-15-7-3-4-8-18(15)20-19(22)16-9-11-17(12-10-16)25(23,24)21-13-5-2-6-14-21/h9-12,15,18H,2-8,13-14H2,1H3,(H,20,22)/t15-,18+/m1/s1
InChIKeyLRRMAUNEOPLPJL-QAPCUYQASA-N
MW364.51 g/mol
LogP3.17
Rot. Bonds4

About N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide

N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 9463751) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID9463751
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-15-7-3-4-8-18(15)20-19(22)16-9-11-17(12-10-16)25(23,24)21-13-5-2-6-14-21/h9-12,15,18H,2-8,13-14H2,1H3,(H,20,22)/t15-,18+/m1/s1
InChIKeyLRRMAUNEOPLPJL-QAPCUYQASA-N
XLogP3.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea
CID 8747962
[(2S)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 98605199
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 8664594
1-[(1S,2R)-2-methylcyclohexyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 8624511
N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40563886
4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1469744
4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-(2-methylcyclohexyl)benzamide
CID 3219957
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 9273373
3-methyl-N-(2-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 5220536
N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide
CID 7478902
2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
CID 25162143

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide (CID 9463751) is N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide is C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is LRRMAUNEOPLPJL-QAPCUYQASA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-15-7-3-4-8-18(15)20-19(22)16-9-11-17(12-10-16)25(23,24)21-13-5-2-6-14-21/h9-12,15,18H,2-8,13-14H2,1H3,(H,20,22)/t15-,18+/m1/s1.
What are the key properties of N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 364.51 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 9463751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).