(1-ethylcyclopropyl)methanesulfonyl chloride

C6H11ClO2S — CID 84658824

IUPAC(1-ethylcyclopropyl)methanesulfonyl chloride
SMILESCCC1(CS(=O)(=O)Cl)CC1
InChIInChI=1S/C6H11ClO2S/c1-2-6(3-4-6)5-10(7,8)9/h2-5H2,1H3
InChIKeyRKRHINOQOWRYCV-UHFFFAOYSA-N
MW182.67 g/mol
LogP1.75
Rot. Bonds3

About (1-ethylcyclopropyl)methanesulfonyl chloride

(1-ethylcyclopropyl)methanesulfonyl chloride (PubChem CID 84658824) has the molecular formula C6H11ClO2S and a molecular weight of 182.67 g/mol. Its IUPAC name is (1-ethylcyclopropyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(1-ethylcyclopropyl)methanesulfonyl chloride
PubChem CID84658824
Molecular FormulaC6H11ClO2S
Molecular Weight182.67 g/mol
Exact Mass182.02
IUPAC Name(1-ethylcyclopropyl)methanesulfonyl chloride
SMILESCCC1(CS(=O)(=O)Cl)CC1
InChIInChI=1S/C6H11ClO2S/c1-2-6(3-4-6)5-10(7,8)9/h2-5H2,1H3
InChIKeyRKRHINOQOWRYCV-UHFFFAOYSA-N
XLogP1.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.67
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopropyl)methanesulfonyl chloride?
The IUPAC name of (1-ethylcyclopropyl)methanesulfonyl chloride (CID 84658824) is (1-ethylcyclopropyl)methanesulfonyl chloride.
What is the SMILES notation for (1-ethylcyclopropyl)methanesulfonyl chloride?
The canonical SMILES for (1-ethylcyclopropyl)methanesulfonyl chloride is CCC1(CS(=O)(=O)Cl)CC1.
What is the InChIKey of (1-ethylcyclopropyl)methanesulfonyl chloride?
The InChIKey is RKRHINOQOWRYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO2S/c1-2-6(3-4-6)5-10(7,8)9/h2-5H2,1H3.
What are the key properties of (1-ethylcyclopropyl)methanesulfonyl chloride?
(1-ethylcyclopropyl)methanesulfonyl chloride has a molecular weight of 182.67 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopropyl)methanesulfonyl chloride is sourced from PubChem (CID 84658824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).