3-cyclopropylpropane-1-sulfonyl chloride

C6H11ClO2S — CID 126970913

IUPAC3-cyclopropylpropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCC1CC1
InChIInChI=1S/C6H11ClO2S/c7-10(8,9)5-1-2-6-3-4-6/h6H,1-5H2
InChIKeyBQAOIGKVDIAZJT-UHFFFAOYSA-N
MW182.67 g/mol
LogP1.75
Rot. Bonds4

About 3-cyclopropylpropane-1-sulfonyl chloride

3-cyclopropylpropane-1-sulfonyl chloride (PubChem CID 126970913) has the molecular formula C6H11ClO2S and a molecular weight of 182.67 g/mol. Its IUPAC name is 3-cyclopropylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-cyclopropylpropane-1-sulfonyl chloride
PubChem CID126970913
Molecular FormulaC6H11ClO2S
Molecular Weight182.67 g/mol
Exact Mass182.02
IUPAC Name3-cyclopropylpropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCC1CC1
InChIInChI=1S/C6H11ClO2S/c7-10(8,9)5-1-2-6-3-4-6/h6H,1-5H2
InChIKeyBQAOIGKVDIAZJT-UHFFFAOYSA-N
XLogP1.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

4-Methylpentane-1-sulfonyl chloride
CID 20532481
4-Methylpentane-2-sulfonyl chloride
CID 54347504
2-Ethylcyclopropane-1-sulfonyl chloride
CID 55212029
2-Cyclopropylethane-1-sulfonyl chloride
CID 55279594
5-Methylhexane-2-sulfonyl chloride
CID 62084209
2,4-Dimethylpentane-1-sulfonyl chloride
CID 83637643
2-Cyclopropyl-2-fluoroethane-1-sulfonylchloride
CID 105442390
3-Cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride
CID 105473382
4-Cyclopropylbutane-1-sulfonyl chloride
CID 132327758
(Spiro(2.3)hexan-5-yl)methanesulfonyl chloride
CID 132398509
rac-((1R,2R)-2-(fluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 137963782
3-Cyclopropylcyclobutane-1-sulfonyl chloride
CID 145867612

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylpropane-1-sulfonyl chloride?
The IUPAC name of 3-cyclopropylpropane-1-sulfonyl chloride (CID 126970913) is 3-cyclopropylpropane-1-sulfonyl chloride.
What is the SMILES notation for 3-cyclopropylpropane-1-sulfonyl chloride?
The canonical SMILES for 3-cyclopropylpropane-1-sulfonyl chloride is O=S(=O)(Cl)CCCC1CC1.
What is the InChIKey of 3-cyclopropylpropane-1-sulfonyl chloride?
The InChIKey is BQAOIGKVDIAZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO2S/c7-10(8,9)5-1-2-6-3-4-6/h6H,1-5H2.
What are the key properties of 3-cyclopropylpropane-1-sulfonyl chloride?
3-cyclopropylpropane-1-sulfonyl chloride has a molecular weight of 182.67 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylpropane-1-sulfonyl chloride is sourced from PubChem (CID 126970913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).