1-cyclopropyl-3-methylsulfanylindole

C12H13NS — CID 174184058

IUPAC1-cyclopropyl-3-methylsulfanylindole
SMILESCSc1cn(C2CC2)c2ccccc12
InChIInChI=1S/C12H13NS/c1-14-12-8-13(9-6-7-9)11-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3
InChIKeyZPBWSEUEYHLNNF-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.70
Rot. Bonds2

About 1-cyclopropyl-3-methylsulfanylindole

1-cyclopropyl-3-methylsulfanylindole (PubChem CID 174184058) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-methylsulfanylindole.

Molecular Properties

Compound Name1-cyclopropyl-3-methylsulfanylindole
PubChem CID174184058
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name1-cyclopropyl-3-methylsulfanylindole
SMILESCSc1cn(C2CC2)c2ccccc12
InChIInChI=1S/C12H13NS/c1-14-12-8-13(9-6-7-9)11-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3
InChIKeyZPBWSEUEYHLNNF-UHFFFAOYSA-N
XLogP3.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methylsulfanylindole?
The IUPAC name of 1-cyclopropyl-3-methylsulfanylindole (CID 174184058) is 1-cyclopropyl-3-methylsulfanylindole.
What is the SMILES notation for 1-cyclopropyl-3-methylsulfanylindole?
The canonical SMILES for 1-cyclopropyl-3-methylsulfanylindole is CSc1cn(C2CC2)c2ccccc12.
What is the InChIKey of 1-cyclopropyl-3-methylsulfanylindole?
The InChIKey is ZPBWSEUEYHLNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-14-12-8-13(9-6-7-9)11-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-cyclopropyl-3-methylsulfanylindole?
1-cyclopropyl-3-methylsulfanylindole has a molecular weight of 203.31 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methylsulfanylindole is sourced from PubChem (CID 174184058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).