N-(2-chloroethyl)-3-methoxy-N-methylpropane-1-sulfonamide

C7H16ClNO3S — CID 63396476

IUPACN-(2-chloroethyl)-3-methoxy-N-methylpropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(C)CCCl
InChIInChI=1S/C7H16ClNO3S/c1-9(5-4-8)13(10,11)7-3-6-12-2/h3-7H2,1-2H3
InChIKeyULSVKFLDQYODOV-UHFFFAOYSA-N
MW229.73 g/mol
LogP0.52
Rot. Bonds7

About N-(2-chloroethyl)-3-methoxy-N-methylpropane-1-sulfonamide

N-(2-chloroethyl)-3-methoxy-N-methylpropane-1-sulfonamide (PubChem CID 63396476) has the molecular formula C7H16ClNO3S and a molecular weight of 229.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-3-methoxy-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-3-methoxy-N-methylpropane-1-sulfonamide
PubChem CID63396476
Molecular FormulaC7H16ClNO3S
Molecular Weight229.73 g/mol
Exact Mass229.05
IUPAC NameN-(2-chloroethyl)-3-methoxy-N-methylpropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(C)CCCl
InChIInChI=1S/C7H16ClNO3S/c1-9(5-4-8)13(10,11)7-3-6-12-2/h3-7H2,1-2H3
InChIKeyULSVKFLDQYODOV-UHFFFAOYSA-N
XLogP0.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-methoxypropane-1-sulfonamide
CID 107492834
N-(2-chloroethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 107493030
N-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide
CID 55186706
3-chloro-N-(2-methoxyethyl)-N-methylpropane-1-sulfonamide
CID 61042237
3-chloro-N-ethyl-N-(2-methoxyethyl)propane-1-sulfonamide
CID 61447709
3-chloro-N-(3-methoxypropyl)-N-methylpropane-1-sulfonamide
CID 62984809
N-(2-chloroethyl)-N-methyloxane-4-sulfonamide
CID 63396388
N-(3-chloropropyl)-2-methoxy-N-propan-2-ylethanesulfonamide
CID 63396421
N-(2-chloroethyl)-N-methylpropane-2-sulfonamide
CID 63396438
N-(2-chloroethyl)-N-methylpropane-1-sulfonamide
CID 63396521
N-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide
CID 63396523
N-(2-chloroethyl)-2-methoxy-N-methylethanesulfonamide
CID 63396524

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3-methoxy-N-methylpropane-1-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-3-methoxy-N-methylpropane-1-sulfonamide (CID 63396476) is N-(2-chloroethyl)-3-methoxy-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-3-methoxy-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-3-methoxy-N-methylpropane-1-sulfonamide is COCCCS(=O)(=O)N(C)CCCl.
What is the InChIKey of N-(2-chloroethyl)-3-methoxy-N-methylpropane-1-sulfonamide?
The InChIKey is ULSVKFLDQYODOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO3S/c1-9(5-4-8)13(10,11)7-3-6-12-2/h3-7H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-3-methoxy-N-methylpropane-1-sulfonamide?
N-(2-chloroethyl)-3-methoxy-N-methylpropane-1-sulfonamide has a molecular weight of 229.73 g/mol, XLogP of 0.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3-methoxy-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 63396476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).