4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol

C13H19NOS — CID 5310968

IUPAC4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol
SMILESCN1CCCC1CCSc1ccc(O)cc1
InChIInChI=1S/C13H19NOS/c1-14-9-2-3-11(14)8-10-16-13-6-4-12(15)5-7-13/h4-7,11,15H,2-3,8-10H2,1H3
InChIKeyNVZGJSVPOOILDI-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.97
Rot. Bonds4

About 4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol

4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol (PubChem CID 5310968) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol.

Molecular Properties

Compound Name4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol
PubChem CID5310968
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol
SMILESCN1CCCC1CCSc1ccc(O)cc1
InChIInChI=1S/C13H19NOS/c1-14-9-2-3-11(14)8-10-16-13-6-4-12(15)5-7-13/h4-7,11,15H,2-3,8-10H2,1H3
InChIKeyNVZGJSVPOOILDI-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol 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 4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol?
The IUPAC name of 4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol (CID 5310968) is 4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol.
What is the SMILES notation for 4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol?
The canonical SMILES for 4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol is CN1CCCC1CCSc1ccc(O)cc1.
What is the InChIKey of 4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol?
The InChIKey is NVZGJSVPOOILDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-14-9-2-3-11(14)8-10-16-13-6-4-12(15)5-7-13/h4-7,11,15H,2-3,8-10H2,1H3.
What are the key properties of 4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol?
4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol has a molecular weight of 237.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol is sourced from PubChem (CID 5310968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).