7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine

C10H13NS — CID 143533133

IUPAC7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine
SMILESCC1C=CC2=C(C=N1)CCSC2
InChIInChI=1S/C10H13NS/c1-8-2-3-10-7-12-5-4-9(10)6-11-8/h2-3,6,8H,4-5,7H2,1H3
InChIKeyPKRIBYAEQLAKEC-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.45
Rot. Bonds

About 7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine

7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine (PubChem CID 143533133) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine.

Molecular Properties

Compound Name7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine
PubChem CID143533133
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine
SMILESCC1C=CC2=C(C=N1)CCSC2
InChIInChI=1S/C10H13NS/c1-8-2-3-10-7-12-5-4-9(10)6-11-8/h2-3,6,8H,4-5,7H2,1H3
InChIKeyPKRIBYAEQLAKEC-UHFFFAOYSA-N
XLogP2.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine with MolForge

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Launch Full Analysis

Related Compounds

6-Methyl-3a,7a-dihydrothieno[3,2-b]pyridine
CID 57585669
5,5-Dimethylthieno[2,3-d]azepine
CID 70311060
2,3,5a,9a-Tetrahydro-1,5-benzothiazepine
CID 91371791
2-Buta-1,3-dien-2-yl-3a,7a-dihydro-1,3-benzothiazole
CID 118616219
2H-thieno[3,2-i][1]benzazepine
CID 121416106
2-(3,6-dihydro-2H-thiopyran-4-yl)-N-methylbut-2-en-1-imine
CID 124030985
3-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-3,6-dihydro-2H-1,4-thiazine
CID 137427588
3-Thia-14-azatricyclo[8.4.0.02,6]tetradeca-1,5,7,9,11,13-hexaene
CID 140563927
Ethane;7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine
CID 143533132
3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine
CID 143533183
4-methyl-2-(6-methyl-2H-azepin-4-yl)-4,5-dihydro-1,3-thiazole
CID 146351611
1-[5-(1-ethylsulfanylethyl)cyclohepta-1,4,6-trien-1-yl]-N-methylmethanimine
CID 146642728

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine?
The IUPAC name of 7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine (CID 143533133) is 7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine.
What is the SMILES notation for 7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine?
The canonical SMILES for 7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine is CC1C=CC2=C(C=N1)CCSC2.
What is the InChIKey of 7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine?
The InChIKey is PKRIBYAEQLAKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-8-2-3-10-7-12-5-4-9(10)6-11-8/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine?
7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine has a molecular weight of 179.29 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine is sourced from PubChem (CID 143533133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).