2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol

C11H15NOS — CID 131145885

IUPAC2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol
SMILESCSc1cccc([C@@H]2CCNC2)c1O
InChIInChI=1S/C11H15NOS/c1-14-10-4-2-3-9(11(10)13)8-5-6-12-7-8/h2-4,8,12-13H,5-7H2,1H3/t8-/m1/s1
InChIKeyDQBUMKFBVLZVCD-MRVPVSSYSA-N
MW209.31 g/mol
LogP2.19
Rot. Bonds2

About 2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol

2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol (PubChem CID 131145885) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol.

Molecular Properties

Compound Name2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol
PubChem CID131145885
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol
SMILESCSc1cccc([C@@H]2CCNC2)c1O
InChIInChI=1S/C11H15NOS/c1-14-10-4-2-3-9(11(10)13)8-5-6-12-7-8/h2-4,8,12-13H,5-7H2,1H3/t8-/m1/s1
InChIKeyDQBUMKFBVLZVCD-MRVPVSSYSA-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

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Related Compounds

3-bromo-6-pyrrolidin-3-ylbenzene-1,2-diol
CID 117398339
2-amino-3-pyrrolidin-3-ylphenol
CID 117103712
3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650
2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol
CID 130691966
3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine
CID 84713327
4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131169760
(3S)-3-(2,6-dimethylphenyl)pyrrolidine
CID 93478436
3-(2-chloro-3-fluorophenyl)pyrrolidine;hydrochloride
CID 169498402
2-bromo-6-piperidin-4-ylphenol
CID 82623407
5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol
CID 96744761
(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
CID 131096637
3-(3-bromo-2-fluorophenyl)pyrrolidine
CID 83720848

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol?
The IUPAC name of 2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol (CID 131145885) is 2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol.
What is the SMILES notation for 2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol?
The canonical SMILES for 2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol is CSc1cccc([C@@H]2CCNC2)c1O.
What is the InChIKey of 2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol?
The InChIKey is DQBUMKFBVLZVCD-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-14-10-4-2-3-9(11(10)13)8-5-6-12-7-8/h2-4,8,12-13H,5-7H2,1H3/t8-/m1/s1.
What are the key properties of 2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol?
2-methylsulfanyl-6-[(3S)-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 2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol is sourced from PubChem (CID 131145885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).