(1-methylcyclopropyl)methanesulfonyl chloride

C5H9ClO2S — CID 55262941

IUPAC(1-methylcyclopropyl)methanesulfonyl chloride
SMILESCC1(CS(=O)(=O)Cl)CC1
InChIInChI=1S/C5H9ClO2S/c1-5(2-3-5)4-9(6,7)8/h2-4H2,1H3
InChIKeyNPUZLDVCLQJVNQ-UHFFFAOYSA-N
MW168.64 g/mol
LogP1.36
Rot. Bonds2

About (1-methylcyclopropyl)methanesulfonyl chloride

(1-methylcyclopropyl)methanesulfonyl chloride (PubChem CID 55262941) has the molecular formula C5H9ClO2S and a molecular weight of 168.64 g/mol. Its IUPAC name is (1-methylcyclopropyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(1-methylcyclopropyl)methanesulfonyl chloride
PubChem CID55262941
Molecular FormulaC5H9ClO2S
Molecular Weight168.64 g/mol
Exact Mass168.00
IUPAC Name(1-methylcyclopropyl)methanesulfonyl chloride
SMILESCC1(CS(=O)(=O)Cl)CC1
InChIInChI=1S/C5H9ClO2S/c1-5(2-3-5)4-9(6,7)8/h2-4H2,1H3
InChIKeyNPUZLDVCLQJVNQ-UHFFFAOYSA-N
XLogP1.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.64
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl)methanesulfonyl chloride?
The IUPAC name of (1-methylcyclopropyl)methanesulfonyl chloride (CID 55262941) is (1-methylcyclopropyl)methanesulfonyl chloride.
What is the SMILES notation for (1-methylcyclopropyl)methanesulfonyl chloride?
The canonical SMILES for (1-methylcyclopropyl)methanesulfonyl chloride is CC1(CS(=O)(=O)Cl)CC1.
What is the InChIKey of (1-methylcyclopropyl)methanesulfonyl chloride?
The InChIKey is NPUZLDVCLQJVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO2S/c1-5(2-3-5)4-9(6,7)8/h2-4H2,1H3.
What are the key properties of (1-methylcyclopropyl)methanesulfonyl chloride?
(1-methylcyclopropyl)methanesulfonyl chloride has a molecular weight of 168.64 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl)methanesulfonyl chloride is sourced from PubChem (CID 55262941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).