N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C18H21NS — CID 63418984

IUPACN-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESc1cc2c(c(NC3CCCc4sccc43)c1)CCCC2
InChIInChI=1S/C18H21NS/c1-2-7-14-13(5-1)6-3-8-16(14)19-17-9-4-10-18-15(17)11-12-20-18/h3,6,8,11-12,17,19H,1-2,4-5,7,9-10H2
InChIKeyBMHOHLTZRSAONV-UHFFFAOYSA-N
MW283.44 g/mol
LogP5.12
Rot. Bonds2

About N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 63418984) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID63418984
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC NameN-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESc1cc2c(c(NC3CCCc4sccc43)c1)CCCC2
InChIInChI=1S/C18H21NS/c1-2-7-14-13(5-1)6-3-8-16(14)19-17-9-4-10-18-15(17)11-12-20-18/h3,6,8,11-12,17,19H,1-2,4-5,7,9-10H2
InChIKeyBMHOHLTZRSAONV-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-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 N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 63418984) is N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is c1cc2c(c(NC3CCCc4sccc43)c1)CCCC2.
What is the InChIKey of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is BMHOHLTZRSAONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-2-7-14-13(5-1)6-3-8-16(14)19-17-9-4-10-18-15(17)11-12-20-18/h3,6,8,11-12,17,19H,1-2,4-5,7,9-10H2.
What are the key properties of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 283.44 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 63418984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).