3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide

C9H18ClNO3S — CID 43653909

IUPAC3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)CCCCl
InChIInChI=1S/C9H18ClNO3S/c1-11(9-3-6-14-7-4-9)15(12,13)8-2-5-10/h9H,2-8H2,1H3
InChIKeyZPDBWHQUSLIVTR-UHFFFAOYSA-N
MW255.77 g/mol
LogP1.06
Rot. Bonds5

About 3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide

3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide (PubChem CID 43653909) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide
PubChem CID43653909
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Name3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)CCCCl
InChIInChI=1S/C9H18ClNO3S/c1-11(9-3-6-14-7-4-9)15(12,13)8-2-5-10/h9H,2-8H2,1H3
InChIKeyZPDBWHQUSLIVTR-UHFFFAOYSA-N
XLogP1.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-N-methyl-N-(oxan-4-yl)propane-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 3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide (CID 43653909) is 3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide is CN(C1CCOCC1)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide?
The InChIKey is ZPDBWHQUSLIVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c1-11(9-3-6-14-7-4-9)15(12,13)8-2-5-10/h9H,2-8H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide?
3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide has a molecular weight of 255.77 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide is sourced from PubChem (CID 43653909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).