4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride

C12H24ClNO2S — CID 162106745

IUPAC4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride
SMILESCC1CCCC(S(=O)(=O)C2CCNCC2)C1.Cl
InChIInChI=1S/C12H23NO2S.ClH/c1-10-3-2-4-12(9-10)16(14,15)11-5-7-13-8-6-11;/h10-13H,2-9H2,1H3;1H
InChIKeyLAFZDLXYWBQUFG-UHFFFAOYSA-N
MW281.85 g/mol
LogP2.15
Rot. Bonds2

About 4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride

4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride (PubChem CID 162106745) has the molecular formula C12H24ClNO2S and a molecular weight of 281.85 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride
PubChem CID162106745
Molecular FormulaC12H24ClNO2S
Molecular Weight281.85 g/mol
Exact Mass281.12
IUPAC Name4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride
SMILESCC1CCCC(S(=O)(=O)C2CCNCC2)C1.Cl
InChIInChI=1S/C12H23NO2S.ClH/c1-10-3-2-4-12(9-10)16(14,15)11-5-7-13-8-6-11;/h10-13H,2-9H2,1H3;1H
InChIKeyLAFZDLXYWBQUFG-UHFFFAOYSA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 55115171
N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64717554
N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64717552
3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64717553
4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64676428
N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64675834
3-cyclobutylsulfonylpiperidine
CID 115070306
2,2-dimethyl-5-(3-methylcyclohexyl)sulfonylcyclopentan-1-amine
CID 79863455
2,4-dimethyl-1-piperidin-4-ylsulfonylpiperidine
CID 62332373
N-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine
CID 64675839
2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64673814
N-methyl-3-(3-methylcyclohexyl)sulfonylpropan-1-amine
CID 64676229

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride?
The IUPAC name of 4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride (CID 162106745) is 4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride.
What is the SMILES notation for 4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride?
The canonical SMILES for 4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride is CC1CCCC(S(=O)(=O)C2CCNCC2)C1.Cl.
What is the InChIKey of 4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride?
The InChIKey is LAFZDLXYWBQUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S.ClH/c1-10-3-2-4-12(9-10)16(14,15)11-5-7-13-8-6-11;/h10-13H,2-9H2,1H3;1H.
What are the key properties of 4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride?
4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride has a molecular weight of 281.85 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride is sourced from PubChem (CID 162106745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).