1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine

C11H11NS — CID 11355956

IUPAC1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine
SMILESc1ccc2c3c(sc2c1)CCNC3
InChIInChI=1S/C11H11NS/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-4,12H,5-7H2
InChIKeySTIFURPZTKYNJV-UHFFFAOYSA-N
MW189.28 g/mol
LogP2.55
Rot. Bonds

About 1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine

1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine (PubChem CID 11355956) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine.

Molecular Properties

Compound Name1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine
PubChem CID11355956
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine
SMILESc1ccc2c3c(sc2c1)CCNC3
InChIInChI=1S/C11H11NS/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-4,12H,5-7H2
InChIKeySTIFURPZTKYNJV-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine?
The IUPAC name of 1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine (CID 11355956) is 1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine.
What is the SMILES notation for 1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine?
The canonical SMILES for 1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine is c1ccc2c3c(sc2c1)CCNC3.
What is the InChIKey of 1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine?
The InChIKey is STIFURPZTKYNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-4,12H,5-7H2.
What are the key properties of 1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine?
1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine has a molecular weight of 189.28 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine is sourced from PubChem (CID 11355956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).