1-chloro-N-(2-methoxyethyl)-N-methylmethanesulfonamide

C5H12ClNO3S — CID 63665176

IUPAC1-chloro-N-(2-methoxyethyl)-N-methylmethanesulfonamide
SMILESCOCCN(C)S(=O)(=O)CCl
InChIInChI=1S/C5H12ClNO3S/c1-7(3-4-10-2)11(8,9)5-6/h3-5H2,1-2H3
InChIKeyPJOFGDVRYBCNEB-UHFFFAOYSA-N
MW201.67 g/mol
LogP0.09
Rot. Bonds5

About 1-chloro-N-(2-methoxyethyl)-N-methylmethanesulfonamide

1-chloro-N-(2-methoxyethyl)-N-methylmethanesulfonamide (PubChem CID 63665176) has the molecular formula C5H12ClNO3S and a molecular weight of 201.67 g/mol. Its IUPAC name is 1-chloro-N-(2-methoxyethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2-methoxyethyl)-N-methylmethanesulfonamide
PubChem CID63665176
Molecular FormulaC5H12ClNO3S
Molecular Weight201.67 g/mol
Exact Mass201.02
IUPAC Name1-chloro-N-(2-methoxyethyl)-N-methylmethanesulfonamide
SMILESCOCCN(C)S(=O)(=O)CCl
InChIInChI=1S/C5H12ClNO3S/c1-7(3-4-10-2)11(8,9)5-6/h3-5H2,1-2H3
InChIKeyPJOFGDVRYBCNEB-UHFFFAOYSA-N
XLogP0.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-methoxyethyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-chloro-N-(2-methoxyethyl)-N-methylmethanesulfonamide (CID 63665176) is 1-chloro-N-(2-methoxyethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2-methoxyethyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-chloro-N-(2-methoxyethyl)-N-methylmethanesulfonamide is COCCN(C)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-(2-methoxyethyl)-N-methylmethanesulfonamide?
The InChIKey is PJOFGDVRYBCNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO3S/c1-7(3-4-10-2)11(8,9)5-6/h3-5H2,1-2H3.
What are the key properties of 1-chloro-N-(2-methoxyethyl)-N-methylmethanesulfonamide?
1-chloro-N-(2-methoxyethyl)-N-methylmethanesulfonamide has a molecular weight of 201.67 g/mol, XLogP of 0.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-methoxyethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 63665176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).