(2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-indole

C10H13NS — CID 130614963

IUPAC(2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-indole
SMILESCSc1cccc2c1C[C@H](C)N2
InChIInChI=1S/C10H13NS/c1-7-6-8-9(11-7)4-3-5-10(8)12-2/h3-5,7,11H,6H2,1-2H3/t7-/m0/s1
InChIKeyJNAUJEVCGNVJFK-ZETCQYMHSA-N
MW179.29 g/mol
LogP2.77
Rot. Bonds1

About (2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-indole

(2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-indole (PubChem CID 130614963) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is (2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-indole
PubChem CID130614963
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name(2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-indole
SMILESCSc1cccc2c1C[C@H](C)N2
InChIInChI=1S/C10H13NS/c1-7-6-8-9(11-7)4-3-5-10(8)12-2/h3-5,7,11H,6H2,1-2H3/t7-/m0/s1
InChIKeyJNAUJEVCGNVJFK-ZETCQYMHSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-indole?
The IUPAC name of (2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-indole (CID 130614963) is (2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-indole.
What is the SMILES notation for (2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-indole?
The canonical SMILES for (2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-indole is CSc1cccc2c1C[C@H](C)N2.
What is the InChIKey of (2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-indole?
The InChIKey is JNAUJEVCGNVJFK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13NS/c1-7-6-8-9(11-7)4-3-5-10(8)12-2/h3-5,7,11H,6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-indole?
(2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-indole has a molecular weight of 179.29 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 130614963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).