1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylic acid

C14H25NO4S — CID 3411977

IUPAC1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylic acid
SMILESCC1CC(C)CC(S(=O)(=O)N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C14H25NO4S/c1-10-7-11(2)9-13(8-10)20(18,19)15-5-3-12(4-6-15)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyHEBMTWRHIVRPRG-UHFFFAOYSA-N
MW303.42 g/mol
LogP1.94
Rot. Bonds3

About 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylic acid

1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylic acid (PubChem CID 3411977) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylic acid
PubChem CID3411977
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylic acid
SMILESCC1CC(C)CC(S(=O)(=O)N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C14H25NO4S/c1-10-7-11(2)9-13(8-10)20(18,19)15-5-3-12(4-6-15)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyHEBMTWRHIVRPRG-UHFFFAOYSA-N
XLogP1.94
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Ethanesulfonyl)piperidine-4-carboxylic acid
CID 4962812
1-(Propane-1-sulfonyl)piperidine-4-carboxylic acid
CID 4047204
1-(Butane-1-sulfonyl)piperidine-4-carboxylic acid
CID 16228565
1-[(2,2-Difluorocyclohexyl)methylsulfonyl]piperidine-4-carboxylic acid
CID 121977728
1-[4-(Trifluoromethyl)cyclohexyl]sulfonylpiperidine-4-carboxylic acid
CID 122068226
1-[(2,2-Difluorocyclohexyl)methylsulfonyl]-4-methylpiperidine-4-carboxylic acid
CID 136547106
1-(Isopropylsulfonyl)piperidine-4-carboxylic acid
CID 21334204
1-(3-Methoxy-3-oxopropyl)sulfonylpiperidine-4-carboxylic acid
CID 60675446
1-(3,5-Dimethylcyclohexyl)sulfonylpiperidine-4-carboxylate
CID 3411976
4-(4-Methylpiperidin-1-yl)sulfonylbutanoic acid
CID 28513458
3-(4-Methoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid
CID 28774279
4-(4-Methoxycarbonylpiperidin-1-yl)sulfonylbutanoic acid
CID 28774281

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylic acid (CID 3411977) is 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylic acid is CC1CC(C)CC(S(=O)(=O)N2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylic acid?
The InChIKey is HEBMTWRHIVRPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-10-7-11(2)9-13(8-10)20(18,19)15-5-3-12(4-6-15)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylic acid?
1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylic acid has a molecular weight of 303.42 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 3411977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).