N-(2-thiophen-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C18H17NS2 — CID 63445389

IUPACN-(2-thiophen-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESc1csc(-c2ccccc2NC2CCCc3sccc32)c1
InChIInChI=1S/C18H17NS2/c1-2-6-15(13(5-1)18-9-4-11-20-18)19-16-7-3-8-17-14(16)10-12-21-17/h1-2,4-6,9-12,16,19H,3,7-8H2
InChIKeyGBFFSAWPDUXWCZ-UHFFFAOYSA-N
MW311.48 g/mol
LogP5.97
Rot. Bonds3

About N-(2-thiophen-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-(2-thiophen-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 63445389) has the molecular formula C18H17NS2 and a molecular weight of 311.48 g/mol. Its IUPAC name is N-(2-thiophen-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-(2-thiophen-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID63445389
Molecular FormulaC18H17NS2
Molecular Weight311.48 g/mol
Exact Mass311.08
IUPAC NameN-(2-thiophen-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESc1csc(-c2ccccc2NC2CCCc3sccc32)c1
InChIInChI=1S/C18H17NS2/c1-2-6-15(13(5-1)18-9-4-11-20-18)19-16-7-3-8-17-14(16)10-12-21-17/h1-2,4-6,9-12,16,19H,3,7-8H2
InChIKeyGBFFSAWPDUXWCZ-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.48
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-thiophen-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine with MolForge

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Related Compounds

N-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 55122146
N-(2-propylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63433837
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63418984
N-(3-fluoro-2-iodophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 114258382
N-(4-bromo-2,3-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 107787596
N-(2-thiophen-2-ylphenyl)thian-4-amine
CID 43724571
N-(4-methylcyclohexyl)-2-thiophen-2-ylaniline
CID 43724474
N-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840365
4-methyl-N-(2-thiophen-2-ylphenyl)cycloheptan-1-amine
CID 65080513
methyl 2-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzoate
CID 62840217
4-methyl-3-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzene-1,3-diamine
CID 62840454
4-methyl-1-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzene-1,2-diamine
CID 62840451

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-(2-thiophen-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 63445389) is N-(2-thiophen-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-(2-thiophen-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-(2-thiophen-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is c1csc(-c2ccccc2NC2CCCc3sccc32)c1.
What is the InChIKey of N-(2-thiophen-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is GBFFSAWPDUXWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NS2/c1-2-6-15(13(5-1)18-9-4-11-20-18)19-16-7-3-8-17-14(16)10-12-21-17/h1-2,4-6,9-12,16,19H,3,7-8H2.
What are the key properties of N-(2-thiophen-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-(2-thiophen-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 311.48 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 63445389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).