2-methyl-2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine

C8H13NS — CID 89140123

IUPAC2-methyl-2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine
SMILESCC1CC2=C(CCNC2)S1
InChIInChI=1S/C8H13NS/c1-6-4-7-5-9-3-2-8(7)10-6/h6,9H,2-5H2,1H3
InChIKeyKYRLHIVNDZQOFV-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.76
Rot. Bonds

About 2-methyl-2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine

2-methyl-2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine (PubChem CID 89140123) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-methyl-2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-methyl-2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine
PubChem CID89140123
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-methyl-2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine
SMILESCC1CC2=C(CCNC2)S1
InChIInChI=1S/C8H13NS/c1-6-4-7-5-9-3-2-8(7)10-6/h6,9H,2-5H2,1H3
InChIKeyKYRLHIVNDZQOFV-UHFFFAOYSA-N
XLogP1.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine?
The IUPAC name of 2-methyl-2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine (CID 89140123) is 2-methyl-2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 2-methyl-2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine?
The canonical SMILES for 2-methyl-2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine is CC1CC2=C(CCNC2)S1.
What is the InChIKey of 2-methyl-2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine?
The InChIKey is KYRLHIVNDZQOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6-4-7-5-9-3-2-8(7)10-6/h6,9H,2-5H2,1H3.
What are the key properties of 2-methyl-2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine?
2-methyl-2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine has a molecular weight of 155.27 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 89140123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).