N-(2-chloro-2-cyclopropylethyl)-3-methoxypropane-1-sulfonamide

C9H18ClNO3S — CID 65031514

IUPACN-(2-chloro-2-cyclopropylethyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC(Cl)C1CC1
InChIInChI=1S/C9H18ClNO3S/c1-14-5-2-6-15(12,13)11-7-9(10)8-3-4-8/h8-9,11H,2-7H2,1H3
InChIKeyAHHLKVZQYYMPNA-UHFFFAOYSA-N
MW255.77 g/mol
LogP0.96
Rot. Bonds8

About N-(2-chloro-2-cyclopropylethyl)-3-methoxypropane-1-sulfonamide

N-(2-chloro-2-cyclopropylethyl)-3-methoxypropane-1-sulfonamide (PubChem CID 65031514) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-3-methoxypropane-1-sulfonamide
PubChem CID65031514
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC(Cl)C1CC1
InChIInChI=1S/C9H18ClNO3S/c1-14-5-2-6-15(12,13)11-7-9(10)8-3-4-8/h8-9,11H,2-7H2,1H3
InChIKeyAHHLKVZQYYMPNA-UHFFFAOYSA-N
XLogP0.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 50.96
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 N-(2-chloro-2-cyclopropylethyl)-3-methoxypropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-3-methoxypropane-1-sulfonamide (CID 65031514) is N-(2-chloro-2-cyclopropylethyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NCC(Cl)C1CC1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is AHHLKVZQYYMPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c1-14-5-2-6-15(12,13)11-7-9(10)8-3-4-8/h8-9,11H,2-7H2,1H3.
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-3-methoxypropane-1-sulfonamide?
N-(2-chloro-2-cyclopropylethyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 255.77 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 65031514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).