2,2-dimethylpropane-1-sulfonyl chloride

C5H11ClO2S — CID 12574632

IUPAC2,2-dimethylpropane-1-sulfonyl chloride
SMILESCC(C)(C)CS(=O)(=O)Cl
InChIInChI=1S/C5H11ClO2S/c1-5(2,3)4-9(6,7)8/h4H2,1-3H3
InChIKeyRSLHISYPEJMMDT-UHFFFAOYSA-N
MW170.66 g/mol
LogP1.60
Rot. Bonds1

About 2,2-dimethylpropane-1-sulfonyl chloride

2,2-dimethylpropane-1-sulfonyl chloride (PubChem CID 12574632) has the molecular formula C5H11ClO2S and a molecular weight of 170.66 g/mol. Its IUPAC name is 2,2-dimethylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2,2-dimethylpropane-1-sulfonyl chloride
PubChem CID12574632
Molecular FormulaC5H11ClO2S
Molecular Weight170.66 g/mol
Exact Mass170.02
IUPAC Name2,2-dimethylpropane-1-sulfonyl chloride
SMILESCC(C)(C)CS(=O)(=O)Cl
InChIInChI=1S/C5H11ClO2S/c1-5(2,3)4-9(6,7)8/h4H2,1-3H3
InChIKeyRSLHISYPEJMMDT-UHFFFAOYSA-N
XLogP1.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.66
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane-1-sulfonyl chloride?
The IUPAC name of 2,2-dimethylpropane-1-sulfonyl chloride (CID 12574632) is 2,2-dimethylpropane-1-sulfonyl chloride.
What is the SMILES notation for 2,2-dimethylpropane-1-sulfonyl chloride?
The canonical SMILES for 2,2-dimethylpropane-1-sulfonyl chloride is CC(C)(C)CS(=O)(=O)Cl.
What is the InChIKey of 2,2-dimethylpropane-1-sulfonyl chloride?
The InChIKey is RSLHISYPEJMMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO2S/c1-5(2,3)4-9(6,7)8/h4H2,1-3H3.
What are the key properties of 2,2-dimethylpropane-1-sulfonyl chloride?
2,2-dimethylpropane-1-sulfonyl chloride has a molecular weight of 170.66 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane-1-sulfonyl chloride is sourced from PubChem (CID 12574632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).