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

C10H20ClNO2S — CID 102873426

IUPACN-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCCCl)C1CCC1
InChIInChI=1S/C10H20ClNO2S/c1-2-9-15(13,14)12(8-4-7-11)10-5-3-6-10/h10H,2-9H2,1H3
InChIKeyRESHKYHLDSDAHW-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.21
Rot. Bonds7

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

N-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide (PubChem CID 102873426) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide
PubChem CID102873426
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC NameN-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCCCl)C1CCC1
InChIInChI=1S/C10H20ClNO2S/c1-2-9-15(13,14)12(8-4-7-11)10-5-3-6-10/h10H,2-9H2,1H3
InChIKeyRESHKYHLDSDAHW-UHFFFAOYSA-N
XLogP2.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide
CID 102873337
N-(3-chloropropyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide
CID 102873424
3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide
CID 60958952
N-(3-bromopropyl)-N-cyclobutylethanesulfonamide
CID 102873368
N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
CID 102847467
N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide
CID 63396597
N-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide
CID 63396598
N-(2-aminoethyl)-N-cyclobutylethanesulfonamide
CID 102874418
N-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide
CID 102873428
N-butyl-N-cyclopropyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972501
N-(2-chloroethyl)-N-cyclohexyl-2-propan-2-yloxyethanesulfonamide
CID 79600876
N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide
CID 55173884

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide (CID 102873426) is N-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide is CCCS(=O)(=O)N(CCCCl)C1CCC1.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide?
The InChIKey is RESHKYHLDSDAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-2-9-15(13,14)12(8-4-7-11)10-5-3-6-10/h10H,2-9H2,1H3.
What are the key properties of N-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide?
N-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide has a molecular weight of 253.79 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide is sourced from PubChem (CID 102873426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).