3-(cyclopropylmethyl)cyclobutane-1-sulfonyl chloride

C8H13ClO2S — CID 139026627

IUPAC3-(cyclopropylmethyl)cyclobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC(CC2CC2)C1
InChIInChI=1S/C8H13ClO2S/c9-12(10,11)8-4-7(5-8)3-6-1-2-6/h6-8H,1-5H2
InChIKeyOHFRYQPZUPODHZ-UHFFFAOYSA-N
MW208.71 g/mol
LogP2.13
Rot. Bonds3

About 3-(cyclopropylmethyl)cyclobutane-1-sulfonyl chloride

3-(cyclopropylmethyl)cyclobutane-1-sulfonyl chloride (PubChem CID 139026627) has the molecular formula C8H13ClO2S and a molecular weight of 208.71 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)cyclobutane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(cyclopropylmethyl)cyclobutane-1-sulfonyl chloride
PubChem CID139026627
Molecular FormulaC8H13ClO2S
Molecular Weight208.71 g/mol
Exact Mass208.03
IUPAC Name3-(cyclopropylmethyl)cyclobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC(CC2CC2)C1
InChIInChI=1S/C8H13ClO2S/c9-12(10,11)8-4-7(5-8)3-6-1-2-6/h6-8H,1-5H2
InChIKeyOHFRYQPZUPODHZ-UHFFFAOYSA-N
XLogP2.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.71
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bicyclo[3.1.0]hexane-3-sulfonyl chloride
CID 131288995
1-chloro-4-(cyclopropylmethyl)cyclohexane
CID 123424415
(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride
CID 55279558
4-(cyclopropylmethyl)-2,6-dimethylpiperidine
CID 130507754
1-(cyclopropylmethyl)-3-propan-2-ylcyclobutane
CID 91314606
3-ethylcyclopentane-1-sulfonic acid
CID 146965844
[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
CID 140856779
4-(cyclopropylmethyl)cyclohexan-1-amine
CID 126845684
3-oxocyclobutane-1-sulfonyl chloride
CID 131558939
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride
CID 70522175
1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane
CID 147298392
1-propylpiperidine-4-sulfonyl chloride
CID 115000336

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)cyclobutane-1-sulfonyl chloride?
The IUPAC name of 3-(cyclopropylmethyl)cyclobutane-1-sulfonyl chloride (CID 139026627) is 3-(cyclopropylmethyl)cyclobutane-1-sulfonyl chloride.
What is the SMILES notation for 3-(cyclopropylmethyl)cyclobutane-1-sulfonyl chloride?
The canonical SMILES for 3-(cyclopropylmethyl)cyclobutane-1-sulfonyl chloride is O=S(=O)(Cl)C1CC(CC2CC2)C1.
What is the InChIKey of 3-(cyclopropylmethyl)cyclobutane-1-sulfonyl chloride?
The InChIKey is OHFRYQPZUPODHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO2S/c9-12(10,11)8-4-7(5-8)3-6-1-2-6/h6-8H,1-5H2.
What are the key properties of 3-(cyclopropylmethyl)cyclobutane-1-sulfonyl chloride?
3-(cyclopropylmethyl)cyclobutane-1-sulfonyl chloride has a molecular weight of 208.71 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)cyclobutane-1-sulfonyl chloride is sourced from PubChem (CID 139026627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).