N-methyl-6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine

C14H17NS — CID 19107039

IUPACN-methyl-6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine
SMILESCNC12CC=CCC1CSc1ccccc12
InChIInChI=1S/C14H17NS/c1-15-14-9-5-4-6-11(14)10-16-13-8-3-2-7-12(13)14/h2-5,7-8,11,15H,6,9-10H2,1H3
InChIKeyRWUGKZBKPGNVKR-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.17
Rot. Bonds1

About N-methyl-6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine

N-methyl-6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine (PubChem CID 19107039) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-methyl-6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine.

Molecular Properties

Compound NameN-methyl-6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine
PubChem CID19107039
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC NameN-methyl-6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine
SMILESCNC12CC=CCC1CSc1ccccc12
InChIInChI=1S/C14H17NS/c1-15-14-9-5-4-6-11(14)10-16-13-8-3-2-7-12(13)14/h2-5,7-8,11,15H,6,9-10H2,1H3
InChIKeyRWUGKZBKPGNVKR-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine?
The IUPAC name of N-methyl-6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine (CID 19107039) is N-methyl-6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine.
What is the SMILES notation for N-methyl-6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine?
The canonical SMILES for N-methyl-6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine is CNC12CC=CCC1CSc1ccccc12.
What is the InChIKey of N-methyl-6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine?
The InChIKey is RWUGKZBKPGNVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-15-14-9-5-4-6-11(14)10-16-13-8-3-2-7-12(13)14/h2-5,7-8,11,15H,6,9-10H2,1H3.
What are the key properties of N-methyl-6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine?
N-methyl-6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine has a molecular weight of 231.36 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine is sourced from PubChem (CID 19107039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).