(2,2-dimethylcyclopropyl)methanesulfonyl chloride

C6H11ClO2S — CID 107003760

IUPAC(2,2-dimethylcyclopropyl)methanesulfonyl chloride
SMILESCC1(C)CC1CS(=O)(=O)Cl
InChIInChI=1S/C6H11ClO2S/c1-6(2)3-5(6)4-10(7,8)9/h5H,3-4H2,1-2H3
InChIKeyJKQFUOOJEJKNLB-UHFFFAOYSA-N
MW182.67 g/mol
LogP1.60
Rot. Bonds2

About (2,2-dimethylcyclopropyl)methanesulfonyl chloride

(2,2-dimethylcyclopropyl)methanesulfonyl chloride (PubChem CID 107003760) has the molecular formula C6H11ClO2S and a molecular weight of 182.67 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)methanesulfonyl chloride
PubChem CID107003760
Molecular FormulaC6H11ClO2S
Molecular Weight182.67 g/mol
Exact Mass182.02
IUPAC Name(2,2-dimethylcyclopropyl)methanesulfonyl chloride
SMILESCC1(C)CC1CS(=O)(=O)Cl
InChIInChI=1S/C6H11ClO2S/c1-6(2)3-5(6)4-10(7,8)9/h5H,3-4H2,1-2H3
InChIKeyJKQFUOOJEJKNLB-UHFFFAOYSA-N
XLogP1.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.67
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-dimethylcyclopropyl)methanesulfonyl chloride?
The IUPAC name of (2,2-dimethylcyclopropyl)methanesulfonyl chloride (CID 107003760) is (2,2-dimethylcyclopropyl)methanesulfonyl chloride.
What is the SMILES notation for (2,2-dimethylcyclopropyl)methanesulfonyl chloride?
The canonical SMILES for (2,2-dimethylcyclopropyl)methanesulfonyl chloride is CC1(C)CC1CS(=O)(=O)Cl.
What is the InChIKey of (2,2-dimethylcyclopropyl)methanesulfonyl chloride?
The InChIKey is JKQFUOOJEJKNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO2S/c1-6(2)3-5(6)4-10(7,8)9/h5H,3-4H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopropyl)methanesulfonyl chloride?
(2,2-dimethylcyclopropyl)methanesulfonyl chloride has a molecular weight of 182.67 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)methanesulfonyl chloride is sourced from PubChem (CID 107003760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).