(10aR)-N-methyl-6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine

C14H19NS — CID 57400994

IUPAC(10aR)-N-methyl-6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine
SMILESCN[C@]12CCCCC1CSc1ccccc12
InChIInChI=1S/C14H19NS/c1-15-14-9-5-4-6-11(14)10-16-13-8-3-2-7-12(13)14/h2-3,7-8,11,15H,4-6,9-10H2,1H3/t11?,14-/m1/s1
InChIKeyYRHAAMNUSVMHDY-SBXXRYSUSA-N
MW233.38 g/mol
LogP3.40
Rot. Bonds1

About (10aR)-N-methyl-6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine

(10aR)-N-methyl-6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine (PubChem CID 57400994) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is (10aR)-N-methyl-6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine.

Molecular Properties

Compound Name(10aR)-N-methyl-6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine
PubChem CID57400994
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name(10aR)-N-methyl-6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine
SMILESCN[C@]12CCCCC1CSc1ccccc12
InChIInChI=1S/C14H19NS/c1-15-14-9-5-4-6-11(14)10-16-13-8-3-2-7-12(13)14/h2-3,7-8,11,15H,4-6,9-10H2,1H3/t11?,14-/m1/s1
InChIKeyYRHAAMNUSVMHDY-SBXXRYSUSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10aR)-N-methyl-6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine?
The IUPAC name of (10aR)-N-methyl-6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine (CID 57400994) is (10aR)-N-methyl-6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine.
What is the SMILES notation for (10aR)-N-methyl-6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine?
The canonical SMILES for (10aR)-N-methyl-6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine is CN[C@]12CCCCC1CSc1ccccc12.
What is the InChIKey of (10aR)-N-methyl-6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine?
The InChIKey is YRHAAMNUSVMHDY-SBXXRYSUSA-N. The full InChI is InChI=1S/C14H19NS/c1-15-14-9-5-4-6-11(14)10-16-13-8-3-2-7-12(13)14/h2-3,7-8,11,15H,4-6,9-10H2,1H3/t11?,14-/m1/s1.
What are the key properties of (10aR)-N-methyl-6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine?
(10aR)-N-methyl-6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine has a molecular weight of 233.38 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10aR)-N-methyl-6,6a,7,8,9,10-hexahydrobenzo[c]thiochromen-10a-amine is sourced from PubChem (CID 57400994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).