4a-(methylsulfanylmethyl)-1,2,3,4-tetrahydrocarbazole

C14H17NS — CID 10443910

IUPAC4a-(methylsulfanylmethyl)-1,2,3,4-tetrahydrocarbazole
SMILESCSCC12CCCCC1=Nc1ccccc12
InChIInChI=1S/C14H17NS/c1-16-10-14-9-5-4-8-13(14)15-12-7-3-2-6-11(12)14/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyGFWGMLFDVZCFLU-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.95
Rot. Bonds2

About 4a-(methylsulfanylmethyl)-1,2,3,4-tetrahydrocarbazole

4a-(methylsulfanylmethyl)-1,2,3,4-tetrahydrocarbazole (PubChem CID 10443910) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 4a-(methylsulfanylmethyl)-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name4a-(methylsulfanylmethyl)-1,2,3,4-tetrahydrocarbazole
PubChem CID10443910
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name4a-(methylsulfanylmethyl)-1,2,3,4-tetrahydrocarbazole
SMILESCSCC12CCCCC1=Nc1ccccc12
InChIInChI=1S/C14H17NS/c1-16-10-14-9-5-4-8-13(14)15-12-7-3-2-6-11(12)14/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyGFWGMLFDVZCFLU-UHFFFAOYSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4a-(methylsulfanylmethyl)-1,2,3,4-tetrahydrocarbazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4a-(methylsulfanylmethyl)-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 4a-(methylsulfanylmethyl)-1,2,3,4-tetrahydrocarbazole (CID 10443910) is 4a-(methylsulfanylmethyl)-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 4a-(methylsulfanylmethyl)-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 4a-(methylsulfanylmethyl)-1,2,3,4-tetrahydrocarbazole is CSCC12CCCCC1=Nc1ccccc12.
What is the InChIKey of 4a-(methylsulfanylmethyl)-1,2,3,4-tetrahydrocarbazole?
The InChIKey is GFWGMLFDVZCFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-16-10-14-9-5-4-8-13(14)15-12-7-3-2-6-11(12)14/h2-3,6-7H,4-5,8-10H2,1H3.
What are the key properties of 4a-(methylsulfanylmethyl)-1,2,3,4-tetrahydrocarbazole?
4a-(methylsulfanylmethyl)-1,2,3,4-tetrahydrocarbazole has a molecular weight of 231.36 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-(methylsulfanylmethyl)-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 10443910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).