2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide

C11H23ClN2O2S — CID 107650620

IUPAC2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide
SMILESCC1CCCCN1CCCNS(=O)(=O)CCCl
InChIInChI=1S/C11H23ClN2O2S/c1-11-5-2-3-8-14(11)9-4-7-13-17(15,16)10-6-12/h11,13H,2-10H2,1H3
InChIKeyOWCABFHZEOSIFL-UHFFFAOYSA-N
MW282.84 g/mol
LogP1.41
Rot. Bonds7

About 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide

2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide (PubChem CID 107650620) has the molecular formula C11H23ClN2O2S and a molecular weight of 282.84 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide
PubChem CID107650620
Molecular FormulaC11H23ClN2O2S
Molecular Weight282.84 g/mol
Exact Mass282.12
IUPAC Name2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide
SMILESCC1CCCCN1CCCNS(=O)(=O)CCCl
InChIInChI=1S/C11H23ClN2O2S/c1-11-5-2-3-8-14(11)9-4-7-13-17(15,16)10-6-12/h11,13H,2-10H2,1H3
InChIKeyOWCABFHZEOSIFL-UHFFFAOYSA-N
XLogP1.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide 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

3-(2-methylpiperidin-1-yl)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 63190466
3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride
CID 102548986
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 106723029
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine
CID 114209368
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine
CID 43180624
1-dodecyl-2-methylpiperidine;methanesulfonic acid
CID 175583651
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
1-[3-(methanesulfonamido)propyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111371547
N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 143268112
1-(5-chloropentyl)-2-methylpyrrolidine
CID 61288938

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide (CID 107650620) is 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide is CC1CCCCN1CCCNS(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide?
The InChIKey is OWCABFHZEOSIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2O2S/c1-11-5-2-3-8-14(11)9-4-7-13-17(15,16)10-6-12/h11,13H,2-10H2,1H3.
What are the key properties of 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide?
2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide has a molecular weight of 282.84 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide is sourced from PubChem (CID 107650620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).