3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine

C13H24ClNO2S — CID 63400590

IUPAC3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine
SMILESO=S(=O)(C1CCCCC1)N1CCCC(CCCl)C1
InChIInChI=1S/C13H24ClNO2S/c14-9-8-12-5-4-10-15(11-12)18(16,17)13-6-2-1-3-7-13/h12-13H,1-11H2
InChIKeyKAAIHOVBFDUDNT-UHFFFAOYSA-N
MW293.86 g/mol
LogP2.99
Rot. Bonds4

About 3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine

3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine (PubChem CID 63400590) has the molecular formula C13H24ClNO2S and a molecular weight of 293.86 g/mol. Its IUPAC name is 3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine.

Molecular Properties

Compound Name3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine
PubChem CID63400590
Molecular FormulaC13H24ClNO2S
Molecular Weight293.86 g/mol
Exact Mass293.12
IUPAC Name3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine
SMILESO=S(=O)(C1CCCCC1)N1CCCC(CCCl)C1
InChIInChI=1S/C13H24ClNO2S/c14-9-8-12-5-4-10-15(11-12)18(16,17)13-6-2-1-3-7-13/h12-13H,1-11H2
InChIKeyKAAIHOVBFDUDNT-UHFFFAOYSA-N
XLogP2.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.86
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine
CID 63400764
1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine
CID 61132450
4-[3-(chloromethyl)piperidin-1-yl]sulfonylthiane 1,1-dioxide
CID 63397522
(1-cyclohexylsulfonylpyrrolidin-3-yl)methanol
CID 62370983
1-cyclopropylsulfonyl-3-(methoxymethyl)piperidine
CID 121092342
3-(4-chlorobutyl)-1-methylsulfonylpiperidine
CID 79622058
N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine
CID 63879288
3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102693933
(3R)-1-cyclopropylsulfonylpiperidin-3-amine
CID 95378411
3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine
CID 105400625
3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine
CID 106315908

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine?
The IUPAC name of 3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine (CID 63400590) is 3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine.
What is the SMILES notation for 3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine?
The canonical SMILES for 3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine is O=S(=O)(C1CCCCC1)N1CCCC(CCCl)C1.
What is the InChIKey of 3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine?
The InChIKey is KAAIHOVBFDUDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO2S/c14-9-8-12-5-4-10-15(11-12)18(16,17)13-6-2-1-3-7-13/h12-13H,1-11H2.
What are the key properties of 3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine?
3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine has a molecular weight of 293.86 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine is sourced from PubChem (CID 63400590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).