N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide

C6H14ClNO3S — CID 63400618

IUPACN-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide
SMILESCOCC(Cl)CN(C)S(C)(=O)=O
InChIInChI=1S/C6H14ClNO3S/c1-8(12(3,9)10)4-6(7)5-11-2/h6H,4-5H2,1-3H3
InChIKeyYDSARIXVZUPQDE-UHFFFAOYSA-N
MW215.70 g/mol
LogP0.13
Rot. Bonds5

About N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide

N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide (PubChem CID 63400618) has the molecular formula C6H14ClNO3S and a molecular weight of 215.70 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide
PubChem CID63400618
Molecular FormulaC6H14ClNO3S
Molecular Weight215.70 g/mol
Exact Mass215.04
IUPAC NameN-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide
SMILESCOCC(Cl)CN(C)S(C)(=O)=O
InChIInChI=1S/C6H14ClNO3S/c1-8(12(3,9)10)4-6(7)5-11-2/h6H,4-5H2,1-3H3
InChIKeyYDSARIXVZUPQDE-UHFFFAOYSA-N
XLogP0.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide 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-3-methoxypropyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide (CID 63400618) is N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide is COCC(Cl)CN(C)S(C)(=O)=O.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide?
The InChIKey is YDSARIXVZUPQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO3S/c1-8(12(3,9)10)4-6(7)5-11-2/h6H,4-5H2,1-3H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide?
N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide has a molecular weight of 215.70 g/mol, XLogP of 0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 63400618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).