2-cyclopropylcyclohexane-1-sulfinate

C9H15O2S- — CID 146904202

IUPAC2-cyclopropylcyclohexane-1-sulfinate
SMILESO=S([O-])C1CCCCC1C1CC1
InChIInChI=1S/C9H16O2S/c10-12(11)9-4-2-1-3-8(9)7-5-6-7/h7-9H,1-6H2,(H,10,11)/p-1
InChIKeyUWYPQMGPIMYIKM-UHFFFAOYSA-M
MW187.28 g/mol
LogP1.83
Rot. Bonds2

About 2-cyclopropylcyclohexane-1-sulfinate

2-cyclopropylcyclohexane-1-sulfinate (PubChem CID 146904202) has the molecular formula C9H15O2S- and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-cyclopropylcyclohexane-1-sulfinate.

Molecular Properties

Compound Name2-cyclopropylcyclohexane-1-sulfinate
PubChem CID146904202
Molecular FormulaC9H15O2S-
Molecular Weight187.28 g/mol
Exact Mass187.08
IUPAC Name2-cyclopropylcyclohexane-1-sulfinate
SMILESO=S([O-])C1CCCCC1C1CC1
InChIInChI=1S/C9H16O2S/c10-12(11)9-4-2-1-3-8(9)7-5-6-7/h7-9H,1-6H2,(H,10,11)/p-1
InChIKeyUWYPQMGPIMYIKM-UHFFFAOYSA-M
XLogP1.83
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

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cyclodecanesulfinate
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5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
(2-cyclopropylcyclobutyl)cyclopentane
CID 54374966
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CID 59979364
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CID 23230200
(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 134864690
(1R,3aS,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 12701541
(1R,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59207141
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylcyclohexane-1-sulfinate?
The IUPAC name of 2-cyclopropylcyclohexane-1-sulfinate (CID 146904202) is 2-cyclopropylcyclohexane-1-sulfinate.
What is the SMILES notation for 2-cyclopropylcyclohexane-1-sulfinate?
The canonical SMILES for 2-cyclopropylcyclohexane-1-sulfinate is O=S([O-])C1CCCCC1C1CC1.
What is the InChIKey of 2-cyclopropylcyclohexane-1-sulfinate?
The InChIKey is UWYPQMGPIMYIKM-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H16O2S/c10-12(11)9-4-2-1-3-8(9)7-5-6-7/h7-9H,1-6H2,(H,10,11)/p-1.
What are the key properties of 2-cyclopropylcyclohexane-1-sulfinate?
2-cyclopropylcyclohexane-1-sulfinate has a molecular weight of 187.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylcyclohexane-1-sulfinate is sourced from PubChem (CID 146904202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).