(3,3-dimethylcyclobutyl)methanesulfonyl chloride

C7H13ClO2S — CID 131109978

IUPAC(3,3-dimethylcyclobutyl)methanesulfonyl chloride
SMILESCC1(C)CC(CS(=O)(=O)Cl)C1
InChIInChI=1S/C7H13ClO2S/c1-7(2)3-6(4-7)5-11(8,9)10/h6H,3-5H2,1-2H3
InChIKeyKBDDUJXBCRUWPJ-UHFFFAOYSA-N
MW196.70 g/mol
LogP1.99
Rot. Bonds2

About (3,3-dimethylcyclobutyl)methanesulfonyl chloride

(3,3-dimethylcyclobutyl)methanesulfonyl chloride (PubChem CID 131109978) has the molecular formula C7H13ClO2S and a molecular weight of 196.70 g/mol. Its IUPAC name is (3,3-dimethylcyclobutyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3,3-dimethylcyclobutyl)methanesulfonyl chloride
PubChem CID131109978
Molecular FormulaC7H13ClO2S
Molecular Weight196.70 g/mol
Exact Mass196.03
IUPAC Name(3,3-dimethylcyclobutyl)methanesulfonyl chloride
SMILESCC1(C)CC(CS(=O)(=O)Cl)C1
InChIInChI=1S/C7H13ClO2S/c1-7(2)3-6(4-7)5-11(8,9)10/h6H,3-5H2,1-2H3
InChIKeyKBDDUJXBCRUWPJ-UHFFFAOYSA-N
XLogP1.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.70
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylpentane-1-sulfonyl chloride
CID 20532481
4-Methylpentane-2-sulfonyl chloride
CID 54347504
Cyclobutylmethanesulfonyl chloride
CID 55280140
3-Methylcyclobutane-1-sulfonyl chloride
CID 103564836
(3-Methylcyclobutyl)methanesulfonyl chloride
CID 132342268
(3-Fluoro-3-methylcyclobutyl)methanesulfonyl chloride
CID 177183782
2,4-Dimethylpentane-1-sulfonyl chloride
CID 83637643
(1-Methylcyclobutyl)methanesulfonyl chloride
CID 84658823
3-(Propan-2-yl)cyclobutane-1-sulfonyl chloride
CID 103564835
2-Cyclobutyl-2-methylpropane-1-sulfonyl chloride
CID 115027201
2,2-Dimethylcyclobutane-1-sulfonyl chloride
CID 130555241
3,3-Dimethylcyclobutane-1-sulfonyl chloride
CID 130967108

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylcyclobutyl)methanesulfonyl chloride?
The IUPAC name of (3,3-dimethylcyclobutyl)methanesulfonyl chloride (CID 131109978) is (3,3-dimethylcyclobutyl)methanesulfonyl chloride.
What is the SMILES notation for (3,3-dimethylcyclobutyl)methanesulfonyl chloride?
The canonical SMILES for (3,3-dimethylcyclobutyl)methanesulfonyl chloride is CC1(C)CC(CS(=O)(=O)Cl)C1.
What is the InChIKey of (3,3-dimethylcyclobutyl)methanesulfonyl chloride?
The InChIKey is KBDDUJXBCRUWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO2S/c1-7(2)3-6(4-7)5-11(8,9)10/h6H,3-5H2,1-2H3.
What are the key properties of (3,3-dimethylcyclobutyl)methanesulfonyl chloride?
(3,3-dimethylcyclobutyl)methanesulfonyl chloride has a molecular weight of 196.70 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-dimethylcyclobutyl)methanesulfonyl chloride is sourced from PubChem (CID 131109978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).