1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylate

C14H24NO4S- — CID 3411976

IUPAC1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylate
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)/p-1
InChIKeyHEBMTWRHIVRPRG-UHFFFAOYSA-M
MW302.42 g/mol
LogP0.60
Rot. Bonds3

About 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylate

1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylate (PubChem CID 3411976) has the molecular formula C14H24NO4S- and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylate
PubChem CID3411976
Molecular FormulaC14H24NO4S-
Molecular Weight302.42 g/mol
Exact Mass302.14
IUPAC Name1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylate
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)/p-1
InChIKeyHEBMTWRHIVRPRG-UHFFFAOYSA-M
XLogP0.60
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylate (CID 3411976) is 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylate is CC1CC(C)CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is HEBMTWRHIVRPRG-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylate?
1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 302.42 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 3411976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).