1-cycloheptylcyclopropane-1-sulfonyl chloride

C10H17ClO2S — CID 165490522

IUPAC1-cycloheptylcyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(C2CCCCCC2)CC1
InChIInChI=1S/C10H17ClO2S/c11-14(12,13)10(7-8-10)9-5-3-1-2-4-6-9/h9H,1-8H2
InChIKeyPAMNUYJMTMEZKH-UHFFFAOYSA-N
MW236.76 g/mol
LogP3.06
Rot. Bonds2

About 1-cycloheptylcyclopropane-1-sulfonyl chloride

1-cycloheptylcyclopropane-1-sulfonyl chloride (PubChem CID 165490522) has the molecular formula C10H17ClO2S and a molecular weight of 236.76 g/mol. Its IUPAC name is 1-cycloheptylcyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-cycloheptylcyclopropane-1-sulfonyl chloride
PubChem CID165490522
Molecular FormulaC10H17ClO2S
Molecular Weight236.76 g/mol
Exact Mass236.06
IUPAC Name1-cycloheptylcyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(C2CCCCCC2)CC1
InChIInChI=1S/C10H17ClO2S/c11-14(12,13)10(7-8-10)9-5-3-1-2-4-6-9/h9H,1-8H2
InChIKeyPAMNUYJMTMEZKH-UHFFFAOYSA-N
XLogP3.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.76
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyanocyclohexyl)cyclopropane-1-sulfonyl chloride
CID 165496293
1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride
CID 165490471
1,1-di(cyclooctyl)cyclooctane
CID 23107007
6,6-dimethylcycloundecane-1-sulfonyl chloride
CID 146618987
(1-cyclopropylcyclopropyl)cyclopentane
CID 57169070
cyclopentane;sulfuryl dichloride
CID 87352462
3-cyclohexyloxolan-3-amine
CID 82936472
1-cyclohexylcyclohexane-1,2-dicarbonyl chloride
CID 87344968
1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride
CID 165490453
1-cyclopentyl-1-(1-cyclopentylcyclobutyl)cyclohexane
CID 175602198
[1-(chloromethyl)cyclobutyl]cycloheptane
CID 82946357
chloro(cyclohexyl)methanesulfonyl chloride
CID 105488887

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptylcyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-cycloheptylcyclopropane-1-sulfonyl chloride (CID 165490522) is 1-cycloheptylcyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-cycloheptylcyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-cycloheptylcyclopropane-1-sulfonyl chloride is O=S(=O)(Cl)C1(C2CCCCCC2)CC1.
What is the InChIKey of 1-cycloheptylcyclopropane-1-sulfonyl chloride?
The InChIKey is PAMNUYJMTMEZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO2S/c11-14(12,13)10(7-8-10)9-5-3-1-2-4-6-9/h9H,1-8H2.
What are the key properties of 1-cycloheptylcyclopropane-1-sulfonyl chloride?
1-cycloheptylcyclopropane-1-sulfonyl chloride has a molecular weight of 236.76 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptylcyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165490522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).