N-(3-chloropropyl)piperidine-1-sulfonamide

C8H17ClN2O2S — CID 43133782

IUPACN-(3-chloropropyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCCCCl)N1CCCCC1
InChIInChI=1S/C8H17ClN2O2S/c9-5-4-6-10-14(12,13)11-7-2-1-3-8-11/h10H,1-8H2
InChIKeyAOKVOLZSLOLFEI-UHFFFAOYSA-N
MW240.76 g/mol
LogP0.94
Rot. Bonds5

About N-(3-chloropropyl)piperidine-1-sulfonamide

N-(3-chloropropyl)piperidine-1-sulfonamide (PubChem CID 43133782) has the molecular formula C8H17ClN2O2S and a molecular weight of 240.76 g/mol. Its IUPAC name is N-(3-chloropropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloropropyl)piperidine-1-sulfonamide
PubChem CID43133782
Molecular FormulaC8H17ClN2O2S
Molecular Weight240.76 g/mol
Exact Mass240.07
IUPAC NameN-(3-chloropropyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCCCCl)N1CCCCC1
InChIInChI=1S/C8H17ClN2O2S/c9-5-4-6-10-14(12,13)11-7-2-1-3-8-11/h10H,1-8H2
InChIKeyAOKVOLZSLOLFEI-UHFFFAOYSA-N
XLogP0.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)azepane-1-sulfonamide
CID 28785017
N-[3-(ethylsulfonylamino)propyl]azepane-1-sulfonamide
CID 49459638
N-(6-aminohexyl)piperidine-1-sulfonamide
CID 114008123
2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride
CID 81357870
N-(3-cyanopropyl)azepane-1-sulfonamide
CID 62665686
N-(2-aminoethyl)piperidine-1-sulfonamide;hydrochloride
CID 119959959
N-(3-methoxypropyl)pyrrolidine-1-sulfonamide
CID 110705733
N-[2-(ethylamino)ethyl]azepane-1-sulfonamide
CID 62665481
N-[2-(methylamino)ethyl]pyrrolidine-1-sulfonamide
CID 62657611
N-[2-(propylamino)ethyl]azepane-1-sulfonamide
CID 62665322
N-(3-cyclopentyloxypropyl)azepane-1-sulfonamide
CID 131929466
4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide
CID 76953279

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-chloropropyl)piperidine-1-sulfonamide (CID 43133782) is N-(3-chloropropyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-chloropropyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-chloropropyl)piperidine-1-sulfonamide is O=S(=O)(NCCCCl)N1CCCCC1.
What is the InChIKey of N-(3-chloropropyl)piperidine-1-sulfonamide?
The InChIKey is AOKVOLZSLOLFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O2S/c9-5-4-6-10-14(12,13)11-7-2-1-3-8-11/h10H,1-8H2.
What are the key properties of N-(3-chloropropyl)piperidine-1-sulfonamide?
N-(3-chloropropyl)piperidine-1-sulfonamide has a molecular weight of 240.76 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 43133782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).