7-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]thiazine

C10H19NS — CID 143799820

IUPAC7-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]thiazine
SMILESCC1CCC2NCCSC2CC1
InChIInChI=1S/C10H19NS/c1-8-2-4-9-10(5-3-8)12-7-6-11-9/h8-11H,2-7H2,1H3
InChIKeyNCEUVGBUCLRQJN-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.27
Rot. Bonds

About 7-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]thiazine

7-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]thiazine (PubChem CID 143799820) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 7-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]thiazine.

Molecular Properties

Compound Name7-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]thiazine
PubChem CID143799820
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name7-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]thiazine
SMILESCC1CCC2NCCSC2CC1
InChIInChI=1S/C10H19NS/c1-8-2-4-9-10(5-3-8)12-7-6-11-9/h8-11H,2-7H2,1H3
InChIKeyNCEUVGBUCLRQJN-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]thiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(4-Fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine
CID 140640625
5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine
CID 105156308
5,5,5-trifluoro-N-methyl-1-(thian-4-yl)pentan-2-amine
CID 105156356
N-ethyl-5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine
CID 105156512
6,6,6-trifluoro-N-propyl-1-(thian-4-yl)hexan-2-amine
CID 105174294
6,6,6-trifluoro-N-methyl-1-(thian-4-yl)hexan-2-amine
CID 113688929
N-ethyl-6,6,6-trifluoro-1-(thian-4-yl)hexan-2-amine
CID 113688952
3-Fluoro-2-(thian-3-yl)-8-azabicyclo[3.2.1]octane
CID 115037468
3-Fluoro-2-(thian-4-yl)-8-azabicyclo[3.2.1]octane
CID 115037469
N-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine
CID 116616673
N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine
CID 116616674
N-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine
CID 116627231

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]thiazine?
The IUPAC name of 7-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]thiazine (CID 143799820) is 7-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]thiazine.
What is the SMILES notation for 7-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]thiazine?
The canonical SMILES for 7-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]thiazine is CC1CCC2NCCSC2CC1.
What is the InChIKey of 7-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]thiazine?
The InChIKey is NCEUVGBUCLRQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-8-2-4-9-10(5-3-8)12-7-6-11-9/h8-11H,2-7H2,1H3.
What are the key properties of 7-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]thiazine?
7-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]thiazine has a molecular weight of 185.34 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]thiazine is sourced from PubChem (CID 143799820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).