(2S)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid

C14H14O2S — CID 46861569

IUPAC(2S)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid
SMILESCSc1ccc2cc([C@H](C)C(=O)O)ccc2c1
InChIInChI=1S/C14H14O2S/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyDZFJDDMBLJXLJL-VIFPVBQESA-N
MW246.33 g/mol
LogP3.75
Rot. Bonds3

About (2S)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid

(2S)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid (PubChem CID 46861569) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is (2S)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid
PubChem CID46861569
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name(2S)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid
SMILESCSc1ccc2cc([C@H](C)C(=O)O)ccc2c1
InChIInChI=1S/C14H14O2S/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyDZFJDDMBLJXLJL-VIFPVBQESA-N
XLogP3.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid 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

2-(3''-Ethylsulfanyl-biphenyl-4-yl)-propionic acid
CID 9817355
2-(6-Ethylnaphthalen-2-yl)propanoic acid
CID 20335074
6-Methylthio-2-naphthyl-alpha-methylacetic acid
CID 20335119
(2R)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid
CID 124464431
2-(6-Methylsulfonylnaphthalen-2-yl)propanoic acid
CID 129056875
2-Methyl-1-naphthaleneacetic acid
CID 66551
2-(6-Methylsulfinylnaphthalen-2-yl)propanoic acid
CID 129056873
[6-Fluoro-4-(4-methansulfonyl-phenyl)-3-methyl-naphthalen-2-yl]-acetic acid
CID 71711573
2-Naphthaleneacetic acid, alpha-ethyl-
CID 27266
2-(Naphthalen-2-yl)propanoic acid
CID 13147846
2-Phenyl-2-{[4-(propan-2-yl)phenyl]sulfanyl}acetic acid
CID 22681959
2-[4-(4-Chloro-benzyl)-7-methylsulfanyl-naphthalen-1-yl]-propionic acid
CID 44324004

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid?
The IUPAC name of (2S)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid (CID 46861569) is (2S)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid?
The canonical SMILES for (2S)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid is CSc1ccc2cc([C@H](C)C(=O)O)ccc2c1.
What is the InChIKey of (2S)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid?
The InChIKey is DZFJDDMBLJXLJL-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14O2S/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid?
(2S)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid has a molecular weight of 246.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 46861569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).