2-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine

C13H13NS — CID 59291375

IUPAC2-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine
SMILESNc1c(-c2ccccc2)sc2c1CCC2
InChIInChI=1S/C13H13NS/c14-12-10-7-4-8-11(10)15-13(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,14H2
InChIKeyKGTZKAODEIONJG-UHFFFAOYSA-N
MW215.32 g/mol
LogP3.49
Rot. Bonds1

About 2-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine

2-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine (PubChem CID 59291375) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine.

Molecular Properties

Compound Name2-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine
PubChem CID59291375
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name2-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine
SMILESNc1c(-c2ccccc2)sc2c1CCC2
InChIInChI=1S/C13H13NS/c14-12-10-7-4-8-11(10)15-13(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,14H2
InChIKeyKGTZKAODEIONJG-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenyl-5-(trifluoromethyl)thiophen-3-amine
CID 2782905
4-Phenylthiophen-3-amine hydrochloride
CID 119031786
5-Phenylthiophen-3-amine
CID 15526291
3-Amino-5-phenylthiophene-2,4-dicarbonitrile
CID 15688476
3-(5-Methylthiophen-2-yl)aniline
CID 20632759
4-(5-Methylthiophen-2-yl)aniline
CID 22954379
2,5-Diphenyl-3,4-thiophenediamine
CID 118389679
Thieno[3,4-c]isothiazole-5-S(IV),3,4,6-triphenyl-
CID 143770
4-Phenylthiophen-3-amine
CID 12950678
2-Phenylthiophen-3-amine
CID 18925395
5-(Fluoromethyl)-4-phenylthiophen-3-amine
CID 117956805
[3-Amino-4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methanethiol
CID 141924346

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine?
The IUPAC name of 2-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine (CID 59291375) is 2-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine.
What is the SMILES notation for 2-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine?
The canonical SMILES for 2-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine is Nc1c(-c2ccccc2)sc2c1CCC2.
What is the InChIKey of 2-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine?
The InChIKey is KGTZKAODEIONJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/c14-12-10-7-4-8-11(10)15-13(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,14H2.
What are the key properties of 2-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine?
2-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine has a molecular weight of 215.32 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine is sourced from PubChem (CID 59291375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).