5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine

C10H18S — CID 14039442

IUPAC5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine
SMILESCC1CSCCC2CCCC12
InChIInChI=1S/C10H18S/c1-8-7-11-6-5-9-3-2-4-10(8)9/h8-10H,2-7H2,1H3
InChIKeyFDPDRZDPIFHRGO-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.18
Rot. Bonds

About 5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine

5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine (PubChem CID 14039442) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine.

Molecular Properties

Compound Name5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine
PubChem CID14039442
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine
SMILESCC1CSCCC2CCCC12
InChIInChI=1S/C10H18S/c1-8-7-11-6-5-9-3-2-4-10(8)9/h8-10H,2-7H2,1H3
InChIKeyFDPDRZDPIFHRGO-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine 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

(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
(4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran
CID 22215290
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
1-cyclobutyl-2-methylcyclohexane
CID 146763407
(1R,3aR,6aR)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12702720
pentakis(1-cyclopentyl-2-methylcyclopentane);methane
CID 162268906
(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
CID 163683133
(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 134864690
2-methylbicyclo[5.2.0]nonane
CID 90842882
(1R,3aS,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 12701541
(1R,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59207141
1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 173085914

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine?
The IUPAC name of 5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine (CID 14039442) is 5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine.
What is the SMILES notation for 5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine?
The canonical SMILES for 5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine is CC1CSCCC2CCCC12.
What is the InChIKey of 5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine?
The InChIKey is FDPDRZDPIFHRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-8-7-11-6-5-9-3-2-4-10(8)9/h8-10H,2-7H2,1H3.
What are the key properties of 5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine?
5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine has a molecular weight of 170.32 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine is sourced from PubChem (CID 14039442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).