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

C7H15NOS — CID 11310118

IUPAC(3R,4S)-4-(ethylsulfanylmethyl)pyrrolidin-3-ol
SMILESCCSC[C@H]1CNC[C@@H]1O
InChIInChI=1S/C7H15NOS/c1-2-10-5-6-3-8-4-7(6)9/h6-9H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyLBHSCICTJCIZGQ-RQJHMYQMSA-N
MW161.27 g/mol
LogP0.32
Rot. Bonds3

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

(3R,4S)-4-(ethylsulfanylmethyl)pyrrolidin-3-ol (PubChem CID 11310118) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is (3R,4S)-4-(ethylsulfanylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-(ethylsulfanylmethyl)pyrrolidin-3-ol
PubChem CID11310118
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name(3R,4S)-4-(ethylsulfanylmethyl)pyrrolidin-3-ol
SMILESCCSC[C@H]1CNC[C@@H]1O
InChIInChI=1S/C7H15NOS/c1-2-10-5-6-3-8-4-7(6)9/h6-9H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyLBHSCICTJCIZGQ-RQJHMYQMSA-N
XLogP0.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-4-(ethylsulfanylmethyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(ethylsulfanylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4S)-4-(ethylsulfanylmethyl)pyrrolidin-3-ol (CID 11310118) is (3R,4S)-4-(ethylsulfanylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-4-(ethylsulfanylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-4-(ethylsulfanylmethyl)pyrrolidin-3-ol is CCSC[C@H]1CNC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-(ethylsulfanylmethyl)pyrrolidin-3-ol?
The InChIKey is LBHSCICTJCIZGQ-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H15NOS/c1-2-10-5-6-3-8-4-7(6)9/h6-9H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of (3R,4S)-4-(ethylsulfanylmethyl)pyrrolidin-3-ol?
(3R,4S)-4-(ethylsulfanylmethyl)pyrrolidin-3-ol has a molecular weight of 161.27 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(ethylsulfanylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 11310118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).