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

C12H23ClN2O2S — CID 102873428

IUPACN-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide
SMILESO=S(=O)(N1CCCCC1)N(CCCCl)C1CCC1
InChIInChI=1S/C12H23ClN2O2S/c13-8-5-11-15(12-6-4-7-12)18(16,17)14-9-2-1-3-10-14/h12H,1-11H2
InChIKeyDREIPDOPUHRMLG-UHFFFAOYSA-N
MW294.85 g/mol
LogP2.20
Rot. Bonds6

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

N-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide (PubChem CID 102873428) has the molecular formula C12H23ClN2O2S and a molecular weight of 294.85 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide
PubChem CID102873428
Molecular FormulaC12H23ClN2O2S
Molecular Weight294.85 g/mol
Exact Mass294.12
IUPAC NameN-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide
SMILESO=S(=O)(N1CCCCC1)N(CCCCl)C1CCC1
InChIInChI=1S/C12H23ClN2O2S/c13-8-5-11-15(12-6-4-7-12)18(16,17)14-9-2-1-3-10-14/h12H,1-11H2
InChIKeyDREIPDOPUHRMLG-UHFFFAOYSA-N
XLogP2.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide (CID 102873428) is N-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide is O=S(=O)(N1CCCCC1)N(CCCCl)C1CCC1.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide?
The InChIKey is DREIPDOPUHRMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2O2S/c13-8-5-11-15(12-6-4-7-12)18(16,17)14-9-2-1-3-10-14/h12H,1-11H2.
What are the key properties of N-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide?
N-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide has a molecular weight of 294.85 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide is sourced from PubChem (CID 102873428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).