(3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol

C11H21NOS — CID 11482136

IUPAC(3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@@H]1CSC1CCCCC1
InChIInChI=1S/C11H21NOS/c13-11-7-12-6-9(11)8-14-10-4-2-1-3-5-10/h9-13H,1-8H2/t9-,11+/m1/s1
InChIKeyBVXNFJMDLJDMNF-KOLCDFICSA-N
MW215.36 g/mol
LogP1.63
Rot. Bonds3

About (3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol

(3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol (PubChem CID 11482136) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is (3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol
PubChem CID11482136
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name(3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@@H]1CSC1CCCCC1
InChIInChI=1S/C11H21NOS/c13-11-7-12-6-9(11)8-14-10-4-2-1-3-5-10/h9-13H,1-8H2/t9-,11+/m1/s1
InChIKeyBVXNFJMDLJDMNF-KOLCDFICSA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol (CID 11482136) is (3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol is O[C@H]1CNC[C@@H]1CSC1CCCCC1.
What is the InChIKey of (3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol?
The InChIKey is BVXNFJMDLJDMNF-KOLCDFICSA-N. The full InChI is InChI=1S/C11H21NOS/c13-11-7-12-6-9(11)8-14-10-4-2-1-3-5-10/h9-13H,1-8H2/t9-,11+/m1/s1.
What are the key properties of (3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol?
(3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol has a molecular weight of 215.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 11482136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).