3-chloro-1-(2-methylsulfonylethylsulfonyl)piperidine

C8H16ClNO4S2 — CID 63397385

IUPAC3-chloro-1-(2-methylsulfonylethylsulfonyl)piperidine
SMILESCS(=O)(=O)CCS(=O)(=O)N1CCCC(Cl)C1
InChIInChI=1S/C8H16ClNO4S2/c1-15(11,12)5-6-16(13,14)10-4-2-3-8(9)7-10/h8H,2-7H2,1H3
InChIKeyDWELIYVEASWODM-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.06
Rot. Bonds4

About 3-chloro-1-(2-methylsulfonylethylsulfonyl)piperidine

3-chloro-1-(2-methylsulfonylethylsulfonyl)piperidine (PubChem CID 63397385) has the molecular formula C8H16ClNO4S2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-chloro-1-(2-methylsulfonylethylsulfonyl)piperidine.

Molecular Properties

Compound Name3-chloro-1-(2-methylsulfonylethylsulfonyl)piperidine
PubChem CID63397385
Molecular FormulaC8H16ClNO4S2
Molecular Weight289.81 g/mol
Exact Mass289.02
IUPAC Name3-chloro-1-(2-methylsulfonylethylsulfonyl)piperidine
SMILESCS(=O)(=O)CCS(=O)(=O)N1CCCC(Cl)C1
InChIInChI=1S/C8H16ClNO4S2/c1-15(11,12)5-6-16(13,14)10-4-2-3-8(9)7-10/h8H,2-7H2,1H3
InChIKeyDWELIYVEASWODM-UHFFFAOYSA-N
XLogP0.06
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-1-(2-methylsulfonylethylsulfonyl)piperidine 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-[(3-Chloropropyl)sulfonyl]piperidine
CID 10331256
1-(2-Chloroethyl)-4-(methylsulfonyl)piperidine
CID 68275947
1-(2-Chloroethyl)-4-methylsulfonylpiperidine;hydrochloride
CID 118435735
4-Piperidin-1-ylbutylchloranuidyl butane-1-sulfonate
CID 177723096
4-(5-Chloropentyl)-1,4-thiazinane 1,1-dioxide
CID 12324073
4-Chloro-1-propylsulfonylpiperidine
CID 28347310
1-Butylsulfonyl-4-chloropiperidine
CID 28347311
1-(4-Chlorobutylsulfonyl)piperidine
CID 28704644
4-(Chloromethyl)-1-(2-methylsulfonylethylsulfonyl)piperidine
CID 55185563
3-(Chloromethyl)-1-(2-methylsulfonylethylsulfonyl)piperidine
CID 55186127
4-(3-Chloropiperidin-1-yl)sulfonylthiane 1,1-dioxide
CID 55187457
N-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide
CID 55188208

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-methylsulfonylethylsulfonyl)piperidine?
The IUPAC name of 3-chloro-1-(2-methylsulfonylethylsulfonyl)piperidine (CID 63397385) is 3-chloro-1-(2-methylsulfonylethylsulfonyl)piperidine.
What is the SMILES notation for 3-chloro-1-(2-methylsulfonylethylsulfonyl)piperidine?
The canonical SMILES for 3-chloro-1-(2-methylsulfonylethylsulfonyl)piperidine is CS(=O)(=O)CCS(=O)(=O)N1CCCC(Cl)C1.
What is the InChIKey of 3-chloro-1-(2-methylsulfonylethylsulfonyl)piperidine?
The InChIKey is DWELIYVEASWODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO4S2/c1-15(11,12)5-6-16(13,14)10-4-2-3-8(9)7-10/h8H,2-7H2,1H3.
What are the key properties of 3-chloro-1-(2-methylsulfonylethylsulfonyl)piperidine?
3-chloro-1-(2-methylsulfonylethylsulfonyl)piperidine has a molecular weight of 289.81 g/mol, XLogP of 0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-methylsulfonylethylsulfonyl)piperidine is sourced from PubChem (CID 63397385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).