2,2-dimethylcyclobutane-1-sulfonyl chloride

C6H11ClO2S — CID 130555241

IUPAC2,2-dimethylcyclobutane-1-sulfonyl chloride
SMILESCC1(C)CCC1S(=O)(=O)Cl
InChIInChI=1S/C6H11ClO2S/c1-6(2)4-3-5(6)10(7,8)9/h5H,3-4H2,1-2H3
InChIKeyPFDZRJPDXGYMIQ-UHFFFAOYSA-N
MW182.67 g/mol
LogP1.74
Rot. Bonds1

About 2,2-dimethylcyclobutane-1-sulfonyl chloride

2,2-dimethylcyclobutane-1-sulfonyl chloride (PubChem CID 130555241) has the molecular formula C6H11ClO2S and a molecular weight of 182.67 g/mol. Its IUPAC name is 2,2-dimethylcyclobutane-1-sulfonyl chloride.

Molecular Properties

Compound Name2,2-dimethylcyclobutane-1-sulfonyl chloride
PubChem CID130555241
Molecular FormulaC6H11ClO2S
Molecular Weight182.67 g/mol
Exact Mass182.02
IUPAC Name2,2-dimethylcyclobutane-1-sulfonyl chloride
SMILESCC1(C)CCC1S(=O)(=O)Cl
InChIInChI=1S/C6H11ClO2S/c1-6(2)4-3-5(6)10(7,8)9/h5H,3-4H2,1-2H3
InChIKeyPFDZRJPDXGYMIQ-UHFFFAOYSA-N
XLogP1.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.67
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Dimethylbutane-1-sulfonyl chloride
CID 60911640
2,2-Dimethylbutane-1-sulfonyl chloride
CID 88004578
3-Methylcyclobutane-1-sulfonyl chloride
CID 103564836
(3-Methylcyclobutyl)methanesulfonyl chloride
CID 132342268
Spiro[2.3]hexane-1-sulfonyl chloride
CID 137951511
{Bicyclo[1.1.1]pentan-1-yl}methanesulfonyl chloride
CID 146048616
(1-Methylcyclobutyl)methanesulfonyl chloride
CID 84658823
(1-(Difluoromethyl)cyclobutyl)methanesulfonyl chloride
CID 84684212
2-Cyclobutyl-2-methylpropane-1-sulfonyl chloride
CID 115027201
(1-(Trifluoromethyl)cyclobutyl)methanesulfonyl chloride
CID 125424288
3,3-Dimethylpentane-1-sulfonyl chloride
CID 125511476
3,3-Dimethylcyclobutane-1-sulfonyl chloride
CID 130967108

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylcyclobutane-1-sulfonyl chloride?
The IUPAC name of 2,2-dimethylcyclobutane-1-sulfonyl chloride (CID 130555241) is 2,2-dimethylcyclobutane-1-sulfonyl chloride.
What is the SMILES notation for 2,2-dimethylcyclobutane-1-sulfonyl chloride?
The canonical SMILES for 2,2-dimethylcyclobutane-1-sulfonyl chloride is CC1(C)CCC1S(=O)(=O)Cl.
What is the InChIKey of 2,2-dimethylcyclobutane-1-sulfonyl chloride?
The InChIKey is PFDZRJPDXGYMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO2S/c1-6(2)4-3-5(6)10(7,8)9/h5H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethylcyclobutane-1-sulfonyl chloride?
2,2-dimethylcyclobutane-1-sulfonyl chloride has a molecular weight of 182.67 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylcyclobutane-1-sulfonyl chloride is sourced from PubChem (CID 130555241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).