3,3-dimethylbutane-1-sulfonyl chloride

C6H13ClO2S — CID 60911640

IUPAC3,3-dimethylbutane-1-sulfonyl chloride
SMILESCC(C)(C)CCS(=O)(=O)Cl
InChIInChI=1S/C6H13ClO2S/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3
InChIKeyWXFKSAMQYRGPCU-UHFFFAOYSA-N
MW184.69 g/mol
LogP1.99
Rot. Bonds2

About 3,3-dimethylbutane-1-sulfonyl chloride

3,3-dimethylbutane-1-sulfonyl chloride (PubChem CID 60911640) has the molecular formula C6H13ClO2S and a molecular weight of 184.69 g/mol. Its IUPAC name is 3,3-dimethylbutane-1-sulfonyl chloride.

Molecular Properties

Compound Name3,3-dimethylbutane-1-sulfonyl chloride
PubChem CID60911640
Molecular FormulaC6H13ClO2S
Molecular Weight184.69 g/mol
Exact Mass184.03
IUPAC Name3,3-dimethylbutane-1-sulfonyl chloride
SMILESCC(C)(C)CCS(=O)(=O)Cl
InChIInChI=1S/C6H13ClO2S/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3
InChIKeyWXFKSAMQYRGPCU-UHFFFAOYSA-N
XLogP1.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.69
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethylbutane-1-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Propanesulfonyl chloride, 2-methyl-
CID 182236
2,2-Dimethylpropane-1-sulfonyl chloride
CID 12574632
3-Methylbutane-1-sulfonyl chloride
CID 12933327
3,3-Dimethylbutane-1-sulfonamide
CID 51892333
2-Methylbutane-1-sulfonyl chloride
CID 20532502
3-Methylbutane-2-sulfonyl chloride
CID 21354490
2,3-Dimethylbutane-1-sulfonyl chloride
CID 24975118
2,3,3-Trimethylbutane-1-sulfonyl chloride
CID 83637644
2,2-Dimethylbutane-1-sulfonyl chloride
CID 88004578
2,2-Dimethylcyclopropane-1-sulfonyl chloride
CID 137944046
3,3-Dimethylbutane-1-sulfonyl fluoride
CID 54593040
(1-Methylcyclopropyl)methanesulfonyl chloride
CID 55262941

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutane-1-sulfonyl chloride?
The IUPAC name of 3,3-dimethylbutane-1-sulfonyl chloride (CID 60911640) is 3,3-dimethylbutane-1-sulfonyl chloride.
What is the SMILES notation for 3,3-dimethylbutane-1-sulfonyl chloride?
The canonical SMILES for 3,3-dimethylbutane-1-sulfonyl chloride is CC(C)(C)CCS(=O)(=O)Cl.
What is the InChIKey of 3,3-dimethylbutane-1-sulfonyl chloride?
The InChIKey is WXFKSAMQYRGPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO2S/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3.
What are the key properties of 3,3-dimethylbutane-1-sulfonyl chloride?
3,3-dimethylbutane-1-sulfonyl chloride has a molecular weight of 184.69 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutane-1-sulfonyl chloride is sourced from PubChem (CID 60911640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).