1,3,4,4a-tetrahydrothiopyrano[4,3-b]indole

C11H11NS — CID 70517627

IUPAC1,3,4,4a-tetrahydrothiopyrano[4,3-b]indole
SMILESc1ccc2c(c1)=NC1CCSCC=21
InChIInChI=1S/C11H11NS/c1-2-4-10-8(3-1)9-7-13-6-5-11(9)12-10/h1-4,11H,5-7H2
InChIKeySYOXTEVSDPITPE-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.98
Rot. Bonds

About 1,3,4,4a-tetrahydrothiopyrano[4,3-b]indole

1,3,4,4a-tetrahydrothiopyrano[4,3-b]indole (PubChem CID 70517627) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 1,3,4,4a-tetrahydrothiopyrano[4,3-b]indole.

Molecular Properties

Compound Name1,3,4,4a-tetrahydrothiopyrano[4,3-b]indole
PubChem CID70517627
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name1,3,4,4a-tetrahydrothiopyrano[4,3-b]indole
SMILESc1ccc2c(c1)=NC1CCSCC=21
InChIInChI=1S/C11H11NS/c1-2-4-10-8(3-1)9-7-13-6-5-11(9)12-10/h1-4,11H,5-7H2
InChIKeySYOXTEVSDPITPE-UHFFFAOYSA-N
XLogP0.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,4a-tetrahydrothiopyrano[4,3-b]indole?
The IUPAC name of 1,3,4,4a-tetrahydrothiopyrano[4,3-b]indole (CID 70517627) is 1,3,4,4a-tetrahydrothiopyrano[4,3-b]indole.
What is the SMILES notation for 1,3,4,4a-tetrahydrothiopyrano[4,3-b]indole?
The canonical SMILES for 1,3,4,4a-tetrahydrothiopyrano[4,3-b]indole is c1ccc2c(c1)=NC1CCSCC=21.
What is the InChIKey of 1,3,4,4a-tetrahydrothiopyrano[4,3-b]indole?
The InChIKey is SYOXTEVSDPITPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-2-4-10-8(3-1)9-7-13-6-5-11(9)12-10/h1-4,11H,5-7H2.
What are the key properties of 1,3,4,4a-tetrahydrothiopyrano[4,3-b]indole?
1,3,4,4a-tetrahydrothiopyrano[4,3-b]indole has a molecular weight of 189.28 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4a-tetrahydrothiopyrano[4,3-b]indole is sourced from PubChem (CID 70517627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).