1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride

C10H17ClO2S — CID 165490471

IUPAC1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(CC2CCCCC2)CC1
InChIInChI=1S/C10H17ClO2S/c11-14(12,13)10(6-7-10)8-9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyBYRVPPWASRJVBF-UHFFFAOYSA-N
MW236.76 g/mol
LogP3.06
Rot. Bonds3

About 1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride

1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride (PubChem CID 165490471) has the molecular formula C10H17ClO2S and a molecular weight of 236.76 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride
PubChem CID165490471
Molecular FormulaC10H17ClO2S
Molecular Weight236.76 g/mol
Exact Mass236.06
IUPAC Name1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(CC2CCCCC2)CC1
InChIInChI=1S/C10H17ClO2S/c11-14(12,13)10(6-7-10)8-9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyBYRVPPWASRJVBF-UHFFFAOYSA-N
XLogP3.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride
CID 165490453
1-(5-oxaspiro[3.4]octan-6-ylmethyl)cyclopropane-1-sulfonyl chloride
CID 165490406
cyclopentylmethanesulfonyl chloride
CID 2735404
1-cycloheptylcyclopropane-1-sulfonyl chloride
CID 165490522
[4-(cyclohexylmethyl)oxan-4-yl]methanamine
CID 62906945
1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane
CID 66035796
1-(cyclohexylmethyl)cyclopropane-1-carbaldehyde
CID 130729334
1-(cycloheptylmethyl)cyclopropan-1-amine
CID 83682636
1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride
CID 165495279
1-(cyclohexylmethyl)cyclohexane-1-thiol
CID 144560973
(1-cyclohexylsulfonylcyclopropyl)methanol
CID 117037467
[4-(cyclopentylmethyl)oxan-4-yl]methanamine
CID 62905905

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride (CID 165490471) is 1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride is O=S(=O)(Cl)C1(CC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is BYRVPPWASRJVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO2S/c11-14(12,13)10(6-7-10)8-9-4-2-1-3-5-9/h9H,1-8H2.
What are the key properties of 1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride?
1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 236.76 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165490471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).