10a-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-b]indole

C15H15NS — CID 11511131

IUPAC10a-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-b]indole
SMILESCC12CCCCC1=c1sc3ccccc3c1=N2
InChIInChI=1S/C15H15NS/c1-15-9-5-4-7-11(15)14-13(16-15)10-6-2-3-8-12(10)17-14/h2-3,6,8H,4-5,7,9H2,1H3
InChIKeyBARIIJFVKLYJLS-UHFFFAOYSA-N
MW241.36 g/mol
LogP3.02
Rot. Bonds

About 10a-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-b]indole

10a-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-b]indole (PubChem CID 11511131) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is 10a-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name10a-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-b]indole
PubChem CID11511131
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC Name10a-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-b]indole
SMILESCC12CCCCC1=c1sc3ccccc3c1=N2
InChIInChI=1S/C15H15NS/c1-15-9-5-4-7-11(15)14-13(16-15)10-6-2-3-8-12(10)17-14/h2-3,6,8H,4-5,7,9H2,1H3
InChIKeyBARIIJFVKLYJLS-UHFFFAOYSA-N
XLogP3.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10a-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 10a-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-b]indole (CID 11511131) is 10a-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 10a-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 10a-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-b]indole is CC12CCCCC1=c1sc3ccccc3c1=N2.
What is the InChIKey of 10a-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-b]indole?
The InChIKey is BARIIJFVKLYJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS/c1-15-9-5-4-7-11(15)14-13(16-15)10-6-2-3-8-12(10)17-14/h2-3,6,8H,4-5,7,9H2,1H3.
What are the key properties of 10a-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-b]indole?
10a-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-b]indole has a molecular weight of 241.36 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10a-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 11511131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).