(1-cyclohexylsulfinylpyrrolidin-2-yl)methanol

C11H21NO2S — CID 166663402

IUPAC(1-cyclohexylsulfinylpyrrolidin-2-yl)methanol
SMILESO=S(C1CCCCC1)N1CCCC1CO
InChIInChI=1S/C11H21NO2S/c13-9-10-5-4-8-12(10)15(14)11-6-2-1-3-7-11/h10-11,13H,1-9H2
InChIKeyVJHOHXNIFNQTMU-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.44
Rot. Bonds3

About (1-cyclohexylsulfinylpyrrolidin-2-yl)methanol

(1-cyclohexylsulfinylpyrrolidin-2-yl)methanol (PubChem CID 166663402) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is (1-cyclohexylsulfinylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-cyclohexylsulfinylpyrrolidin-2-yl)methanol
PubChem CID166663402
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name(1-cyclohexylsulfinylpyrrolidin-2-yl)methanol
SMILESO=S(C1CCCCC1)N1CCCC1CO
InChIInChI=1S/C11H21NO2S/c13-9-10-5-4-8-12(10)15(14)11-6-2-1-3-7-11/h10-11,13H,1-9H2
InChIKeyVJHOHXNIFNQTMU-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylsulfinylpyrrolidin-2-yl)methanol?
The IUPAC name of (1-cyclohexylsulfinylpyrrolidin-2-yl)methanol (CID 166663402) is (1-cyclohexylsulfinylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-cyclohexylsulfinylpyrrolidin-2-yl)methanol?
The canonical SMILES for (1-cyclohexylsulfinylpyrrolidin-2-yl)methanol is O=S(C1CCCCC1)N1CCCC1CO.
What is the InChIKey of (1-cyclohexylsulfinylpyrrolidin-2-yl)methanol?
The InChIKey is VJHOHXNIFNQTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c13-9-10-5-4-8-12(10)15(14)11-6-2-1-3-7-11/h10-11,13H,1-9H2.
What are the key properties of (1-cyclohexylsulfinylpyrrolidin-2-yl)methanol?
(1-cyclohexylsulfinylpyrrolidin-2-yl)methanol has a molecular weight of 231.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylsulfinylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 166663402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).