6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine

C13H17NS — CID 19106963

IUPAC6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine
SMILESNC12CCCCC1CSc1ccccc12
InChIInChI=1S/C13H17NS/c14-13-8-4-3-5-10(13)9-15-12-7-2-1-6-11(12)13/h1-2,6-7,10H,3-5,8-9,14H2
InChIKeyGKDOAIQSSYTSJH-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.14
Rot. Bonds

About 6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine

6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine (PubChem CID 19106963) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine.

Molecular Properties

Compound Name6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine
PubChem CID19106963
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine
SMILESNC12CCCCC1CSc1ccccc12
InChIInChI=1S/C13H17NS/c14-13-8-4-3-5-10(13)9-15-12-7-2-1-6-11(12)13/h1-2,6-7,10H,3-5,8-9,14H2
InChIKeyGKDOAIQSSYTSJH-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine 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 6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine?
The IUPAC name of 6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine (CID 19106963) is 6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine.
What is the SMILES notation for 6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine?
The canonical SMILES for 6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine is NC12CCCCC1CSc1ccccc12.
What is the InChIKey of 6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine?
The InChIKey is GKDOAIQSSYTSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c14-13-8-4-3-5-10(13)9-15-12-7-2-1-6-11(12)13/h1-2,6-7,10H,3-5,8-9,14H2.
What are the key properties of 6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine?
6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine has a molecular weight of 219.35 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine is sourced from PubChem (CID 19106963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).