4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol

C11H15NOS — CID 131169760

IUPAC4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol
SMILESCSc1ccc(O)c([C@H]2CCNC2)c1
InChIInChI=1S/C11H15NOS/c1-14-9-2-3-11(13)10(6-9)8-4-5-12-7-8/h2-3,6,8,12-13H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyKNOQKWWWNJKSQN-QMMMGPOBSA-N
MW209.31 g/mol
LogP2.19
Rot. Bonds2

About 4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol

4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol (PubChem CID 131169760) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol.

Molecular Properties

Compound Name4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol
PubChem CID131169760
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol
SMILESCSc1ccc(O)c([C@H]2CCNC2)c1
InChIInChI=1S/C11H15NOS/c1-14-9-2-3-11(13)10(6-9)8-4-5-12-7-8/h2-3,6,8,12-13H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyKNOQKWWWNJKSQN-QMMMGPOBSA-N
XLogP2.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-methoxy-4-methylsulfanylphenyl)pyrrolidine
CID 117320772
4-(fluoromethyl)-2-pyrrolidin-3-ylphenol
CID 84666184
3-(2-methyl-4-methylsulfanylphenyl)piperidine
CID 117317191
2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol
CID 117283580
5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol
CID 96744761
2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol
CID 131145885
3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine
CID 84713327
2-amino-3-pyrrolidin-3-ylphenol
CID 117103712
2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol
CID 130691966
2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol
CID 130648349
4,5-difluoro-2-piperidin-3-ylphenol
CID 84679573
2-bromo-4-pyrrolidin-3-ylphenol
CID 82622109

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol?
The IUPAC name of 4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol (CID 131169760) is 4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol.
What is the SMILES notation for 4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol?
The canonical SMILES for 4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol is CSc1ccc(O)c([C@H]2CCNC2)c1.
What is the InChIKey of 4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol?
The InChIKey is KNOQKWWWNJKSQN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NOS/c1-14-9-2-3-11(13)10(6-9)8-4-5-12-7-8/h2-3,6,8,12-13H,4-5,7H2,1H3/t8-/m0/s1.
What are the key properties of 4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol?
4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol has a molecular weight of 209.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol is sourced from PubChem (CID 131169760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).