1-chloro-N-ethyl-N-(2-methylpropyl)methanesulfonamide

C7H16ClNO2S — CID 63663896

IUPAC1-chloro-N-ethyl-N-(2-methylpropyl)methanesulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)CCl
InChIInChI=1S/C7H16ClNO2S/c1-4-9(5-7(2)3)12(10,11)6-8/h7H,4-6H2,1-3H3
InChIKeyITRRMJVJLDRJAS-UHFFFAOYSA-N
MW213.73 g/mol
LogP1.49
Rot. Bonds5

About 1-chloro-N-ethyl-N-(2-methylpropyl)methanesulfonamide

1-chloro-N-ethyl-N-(2-methylpropyl)methanesulfonamide (PubChem CID 63663896) has the molecular formula C7H16ClNO2S and a molecular weight of 213.73 g/mol. Its IUPAC name is 1-chloro-N-ethyl-N-(2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-ethyl-N-(2-methylpropyl)methanesulfonamide
PubChem CID63663896
Molecular FormulaC7H16ClNO2S
Molecular Weight213.73 g/mol
Exact Mass213.06
IUPAC Name1-chloro-N-ethyl-N-(2-methylpropyl)methanesulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)CCl
InChIInChI=1S/C7H16ClNO2S/c1-4-9(5-7(2)3)12(10,11)6-8/h7H,4-6H2,1-3H3
InChIKeyITRRMJVJLDRJAS-UHFFFAOYSA-N
XLogP1.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-ethyl-N-(2-ethylbutyl)methanesulfonamide
CID 63663851
1-[ethyl(sulfamoyl)amino]-2-methylpropane
CID 43273979
1-chloro-N-(2-methylpropyl)-N-pentan-3-ylmethanesulfonamide
CID 79488883
N-(dimethylsulfamoyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 78877752
3-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)propane-1-sulfonamide
CID 54877166
4-chloro-N-(2-cyanopropyl)-N-ethylbutane-1-sulfonamide
CID 116815412
4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 60765605
1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
CID 63665355
1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide
CID 63666395
3-[ethyl(3-methylbutylsulfonyl)amino]-2-methylpropanethioamide
CID 55259569
3-(aminomethyl)-4-chloro-N-ethyl-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 81458595
1-chloro-N,N-dimethylmethanesulfonamide
CID 10931700

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-ethyl-N-(2-methylpropyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-ethyl-N-(2-methylpropyl)methanesulfonamide (CID 63663896) is 1-chloro-N-ethyl-N-(2-methylpropyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-ethyl-N-(2-methylpropyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-ethyl-N-(2-methylpropyl)methanesulfonamide is CCN(CC(C)C)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-ethyl-N-(2-methylpropyl)methanesulfonamide?
The InChIKey is ITRRMJVJLDRJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO2S/c1-4-9(5-7(2)3)12(10,11)6-8/h7H,4-6H2,1-3H3.
What are the key properties of 1-chloro-N-ethyl-N-(2-methylpropyl)methanesulfonamide?
1-chloro-N-ethyl-N-(2-methylpropyl)methanesulfonamide has a molecular weight of 213.73 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-ethyl-N-(2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 63663896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).