(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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Related Compounds

(2,2-difluorocyclopropyl)methanesulfonyl chloride
CID 55279478
(5,5-dimethyloxolan-3-yl)methanesulfonyl chloride
CID 131172408
2-(chloromethyl)-1,1-dimethylcyclopropane
CID 12627051
(1-methylpyrrolidin-2-yl)methanesulfonyl chloride
CID 127010204
4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one
CID 134971339
2-oxaspiro[4.5]decan-3-ylmethanesulfonyl chloride
CID 131627524
(2R)-1,1-dichloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfonylmethyl]cyclopropane
CID 6936312
cyclopentylmethanesulfonyl chloride
CID 2735404
(2-methylcyclopentyl)methanesulfonyl chloride
CID 84667340
[(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride
CID 124709989
1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethylsulfonylmethyl]cyclopropane
CID 21231341
2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane
CID 70536698

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).