6-methylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole

C12H13NS — CID 141021506

IUPAC6-methylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
SMILESCSc1ccc2c(c1)cc1n2CCC1
InChIInChI=1S/C12H13NS/c1-14-11-4-5-12-9(8-11)7-10-3-2-6-13(10)12/h4-5,7-8H,2-3,6H2,1H3
InChIKeyCKLDMNLZPMHHEK-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.31
Rot. Bonds1

About 6-methylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole

6-methylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole (PubChem CID 141021506) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 6-methylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole.

Molecular Properties

Compound Name6-methylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
PubChem CID141021506
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name6-methylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
SMILESCSc1ccc2c(c1)cc1n2CCC1
InChIInChI=1S/C12H13NS/c1-14-11-4-5-12-9(8-11)7-10-3-2-6-13(10)12/h4-5,7-8H,2-3,6H2,1H3
InChIKeyCKLDMNLZPMHHEK-UHFFFAOYSA-N
XLogP3.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
The IUPAC name of 6-methylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole (CID 141021506) is 6-methylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole.
What is the SMILES notation for 6-methylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
The canonical SMILES for 6-methylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole is CSc1ccc2c(c1)cc1n2CCC1.
What is the InChIKey of 6-methylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
The InChIKey is CKLDMNLZPMHHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-14-11-4-5-12-9(8-11)7-10-3-2-6-13(10)12/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 6-methylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
6-methylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole has a molecular weight of 203.31 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole is sourced from PubChem (CID 141021506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).