1-chloro-N-(3-methylbutan-2-yl)methanesulfonamide

C6H14ClNO2S — CID 63664502

IUPAC1-chloro-N-(3-methylbutan-2-yl)methanesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)CCl
InChIInChI=1S/C6H14ClNO2S/c1-5(2)6(3)8-11(9,10)4-7/h5-6,8H,4H2,1-3H3
InChIKeyWWWILSXPUOSRMS-UHFFFAOYSA-N
MW199.70 g/mol
LogP1.15
Rot. Bonds4

About 1-chloro-N-(3-methylbutan-2-yl)methanesulfonamide

1-chloro-N-(3-methylbutan-2-yl)methanesulfonamide (PubChem CID 63664502) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is 1-chloro-N-(3-methylbutan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(3-methylbutan-2-yl)methanesulfonamide
PubChem CID63664502
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC Name1-chloro-N-(3-methylbutan-2-yl)methanesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)CCl
InChIInChI=1S/C6H14ClNO2S/c1-5(2)6(3)8-11(9,10)4-7/h5-6,8H,4H2,1-3H3
InChIKeyWWWILSXPUOSRMS-UHFFFAOYSA-N
XLogP1.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 51.15
H-Bond Donors ≤ 51
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-propylmethanesulfonamide
CID 3016696
Methanesulfonamide, 1-chloro-N-(1-methylethyl)-
CID 3016718
1,1-dichloro-N-propan-2-ylmethanesulfonamide
CID 12943923
N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 58679592
N-(3-methylbutan-2-yl)methanesulfonamide
CID 59687732
CID 88791470
CID 88791470
N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 89425450
1-chloro-N-(3,3-dimethylbutan-2-yl)methanesulfonamide
CID 104829577
N-propan-2-ylmethanesulfonamide;hydrochloride
CID 140087703
ethane;N-(3-methylbutan-2-yl)methanesulfonamide
CID 165393833
sodium;1-chloro-N-propan-2-ylmethanesulfonamide;hydride
CID 173445243
1-chloro-N-(1-cyclopropylethyl)methanesulfonamide
CID 63663866

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(3-methylbutan-2-yl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(3-methylbutan-2-yl)methanesulfonamide (CID 63664502) is 1-chloro-N-(3-methylbutan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(3-methylbutan-2-yl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(3-methylbutan-2-yl)methanesulfonamide is CC(C)C(C)NS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-(3-methylbutan-2-yl)methanesulfonamide?
The InChIKey is WWWILSXPUOSRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO2S/c1-5(2)6(3)8-11(9,10)4-7/h5-6,8H,4H2,1-3H3.
What are the key properties of 1-chloro-N-(3-methylbutan-2-yl)methanesulfonamide?
1-chloro-N-(3-methylbutan-2-yl)methanesulfonamide has a molecular weight of 199.70 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(3-methylbutan-2-yl)methanesulfonamide is sourced from PubChem (CID 63664502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).