1-methylcyclopropane-1-sulfonyl chloride

C4H7ClO2S — CID 55279326

IUPAC1-methylcyclopropane-1-sulfonyl chloride
SMILESCC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C4H7ClO2S/c1-4(2-3-4)8(5,6)7/h2-3H2,1H3
InChIKeyFMDWPLJEKVUGTC-UHFFFAOYSA-N
MW154.62 g/mol
LogP1.11
Rot. Bonds1

About 1-methylcyclopropane-1-sulfonyl chloride

1-methylcyclopropane-1-sulfonyl chloride (PubChem CID 55279326) has the molecular formula C4H7ClO2S and a molecular weight of 154.62 g/mol. Its IUPAC name is 1-methylcyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-methylcyclopropane-1-sulfonyl chloride
PubChem CID55279326
Molecular FormulaC4H7ClO2S
Molecular Weight154.62 g/mol
Exact Mass153.99
IUPAC Name1-methylcyclopropane-1-sulfonyl chloride
SMILESCC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C4H7ClO2S/c1-4(2-3-4)8(5,6)7/h2-3H2,1H3
InChIKeyFMDWPLJEKVUGTC-UHFFFAOYSA-N
XLogP1.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.62
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-methylcyclopropane-1-sulfonyl chloride (CID 55279326) is 1-methylcyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-methylcyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-methylcyclopropane-1-sulfonyl chloride is CC1(S(=O)(=O)Cl)CC1.
What is the InChIKey of 1-methylcyclopropane-1-sulfonyl chloride?
The InChIKey is FMDWPLJEKVUGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO2S/c1-4(2-3-4)8(5,6)7/h2-3H2,1H3.
What are the key properties of 1-methylcyclopropane-1-sulfonyl chloride?
1-methylcyclopropane-1-sulfonyl chloride has a molecular weight of 154.62 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 55279326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).