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

C11H22ClNOS — CID 11482135

IUPAC(3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.O[C@H]1CNC[C@@H]1CSC1CCCCC1
InChIInChI=1S/C11H21NOS.ClH/c13-11-7-12-6-9(11)8-14-10-4-2-1-3-5-10;/h9-13H,1-8H2;1H/t9-,11+;/m1./s1
InChIKeyZBHBHJPLWIKDJX-XQKZEKTMSA-N
MW251.82 g/mol
LogP2.05
Rot. Bonds3

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

(3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 11482135) has the molecular formula C11H22ClNOS and a molecular weight of 251.82 g/mol. Its IUPAC name is (3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride
PubChem CID11482135
Molecular FormulaC11H22ClNOS
Molecular Weight251.82 g/mol
Exact Mass251.11
IUPAC Name(3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.O[C@H]1CNC[C@@H]1CSC1CCCCC1
InChIInChI=1S/C11H21NOS.ClH/c13-11-7-12-6-9(11)8-14-10-4-2-1-3-5-10;/h9-13H,1-8H2;1H/t9-,11+;/m1./s1
InChIKeyZBHBHJPLWIKDJX-XQKZEKTMSA-N
XLogP2.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.82
LogP ≤ 52.05
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;hydrochloride?
The IUPAC name of (3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride (CID 11482135) is (3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride is Cl.O[C@H]1CNC[C@@H]1CSC1CCCCC1.
What is the InChIKey of (3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is ZBHBHJPLWIKDJX-XQKZEKTMSA-N. The full InChI is InChI=1S/C11H21NOS.ClH/c13-11-7-12-6-9(11)8-14-10-4-2-1-3-5-10;/h9-13H,1-8H2;1H/t9-,11+;/m1./s1.
What are the key properties of (3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride?
(3R,4S)-4-(cyclohexylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 251.82 g/mol, XLogP of 2.05, 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;hydrochloride is sourced from PubChem (CID 11482135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).