(2S)-6-methylsulfanyl-2,3-dihydro-1H-indole-2-carboxylic acid

C10H11NO2S — CID 130616337

IUPAC(2S)-6-methylsulfanyl-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESCSc1ccc2c(c1)N[C@H](C(=O)O)C2
InChIInChI=1S/C10H11NO2S/c1-14-7-3-2-6-4-9(10(12)13)11-8(6)5-7/h2-3,5,9,11H,4H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyQAVWPKNURBKHOP-VIFPVBQESA-N
MW209.27 g/mol
LogP1.83
Rot. Bonds2

About (2S)-6-methylsulfanyl-2,3-dihydro-1H-indole-2-carboxylic acid

(2S)-6-methylsulfanyl-2,3-dihydro-1H-indole-2-carboxylic acid (PubChem CID 130616337) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is (2S)-6-methylsulfanyl-2,3-dihydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-6-methylsulfanyl-2,3-dihydro-1H-indole-2-carboxylic acid
PubChem CID130616337
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name(2S)-6-methylsulfanyl-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESCSc1ccc2c(c1)N[C@H](C(=O)O)C2
InChIInChI=1S/C10H11NO2S/c1-14-7-3-2-6-4-9(10(12)13)11-8(6)5-7/h2-3,5,9,11H,4H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyQAVWPKNURBKHOP-VIFPVBQESA-N
XLogP1.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid
CID 124583906
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid
CID 130001280
2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid
CID 112711991
6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 83901198
5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 174490296
5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 175311120
2-amino-4-methylbenzoic acid;(2S)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 160725758
7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 84620843
5-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-2,3-dihydro-1H-indole-2-carboxylic acid
CID 174547945
(2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 130648417
(2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 124706559

Frequently Asked Questions

What is the IUPAC name of (2S)-6-methylsulfanyl-2,3-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of (2S)-6-methylsulfanyl-2,3-dihydro-1H-indole-2-carboxylic acid (CID 130616337) is (2S)-6-methylsulfanyl-2,3-dihydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for (2S)-6-methylsulfanyl-2,3-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for (2S)-6-methylsulfanyl-2,3-dihydro-1H-indole-2-carboxylic acid is CSc1ccc2c(c1)N[C@H](C(=O)O)C2.
What is the InChIKey of (2S)-6-methylsulfanyl-2,3-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is QAVWPKNURBKHOP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11NO2S/c1-14-7-3-2-6-4-9(10(12)13)11-8(6)5-7/h2-3,5,9,11H,4H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-6-methylsulfanyl-2,3-dihydro-1H-indole-2-carboxylic acid?
(2S)-6-methylsulfanyl-2,3-dihydro-1H-indole-2-carboxylic acid has a molecular weight of 209.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methylsulfanyl-2,3-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 130616337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).