N-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide

C9H18ClNO2S — CID 64552243

IUPACN-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide
SMILESCC(C)N(CCCCl)S(=O)(=O)C1CC1
InChIInChI=1S/C9H18ClNO2S/c1-8(2)11(7-3-6-10)14(12,13)9-4-5-9/h8-9H,3-7H2,1-2H3
InChIKeySBDRRUSGKZJSFK-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.82
Rot. Bonds6

About N-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide

N-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide (PubChem CID 64552243) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide
PubChem CID64552243
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC NameN-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide
SMILESCC(C)N(CCCCl)S(=O)(=O)C1CC1
InChIInChI=1S/C9H18ClNO2S/c1-8(2)11(7-3-6-10)14(12,13)9-4-5-9/h8-9H,3-7H2,1-2H3
InChIKeySBDRRUSGKZJSFK-UHFFFAOYSA-N
XLogP1.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide 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

N-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide
CID 61066384
N-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide
CID 55186312
N-(3-aminopropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide
CID 62086183
N-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 63396547
4-[(1,1-dioxothian-4-yl)sulfonyl-propan-2-ylamino]butanoic acid
CID 62083694
N-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide
CID 64989097
3-[(1,1-dioxothian-4-yl)sulfonyl-propan-2-ylamino]propanoic acid
CID 62084051
2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid
CID 105360726
3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 54996916
N-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide
CID 10381159
N-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide
CID 102873426
N-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65021157

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide?
The IUPAC name of N-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide (CID 64552243) is N-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide.
What is the SMILES notation for N-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide?
The canonical SMILES for N-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide is CC(C)N(CCCCl)S(=O)(=O)C1CC1.
What is the InChIKey of N-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide?
The InChIKey is SBDRRUSGKZJSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-8(2)11(7-3-6-10)14(12,13)9-4-5-9/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide?
N-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide has a molecular weight of 239.77 g/mol, XLogP of 1.82, 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-propan-2-ylcyclopropanesulfonamide is sourced from PubChem (CID 64552243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).