(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-phenylmethanone

C14H13NOS — CID 14241840

IUPAC(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-phenylmethanone
SMILESNc1sc2c(c1C(=O)c1ccccc1)CCC2
InChIInChI=1S/C14H13NOS/c15-14-12(10-7-4-8-11(10)17-14)13(16)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,15H2
InChIKeyZIOVYNKDBMOAMM-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.05
Rot. Bonds2

About (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-phenylmethanone

(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-phenylmethanone (PubChem CID 14241840) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-phenylmethanone
PubChem CID14241840
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-phenylmethanone
SMILESNc1sc2c(c1C(=O)c1ccccc1)CCC2
InChIInChI=1S/C14H13NOS/c15-14-12(10-7-4-8-11(10)17-14)13(16)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,15H2
InChIKeyZIOVYNKDBMOAMM-UHFFFAOYSA-N
XLogP3.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

2-Amino-5-phenylthiophene-3-carboxamide
CID 703965
PD 81723
CID 122028
2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
CID 596881
(2-Amino-4,5,6,7-tetrahydro-1-benzothien-3-yl)(3-methylphenyl)methanone
CID 2454977
3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 686161
2-Benzoylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide
CID 712900
(2-Amino-5-ethylthiophen-3-yl)-phenylmethanone
CID 827127
(2-Amino-4,5-dimethylthiophen-3-yl)(phenyl)methanone
CID 615540
(2-Aminothiophen-3-yl)(phenyl)methanone
CID 644720
(2-Amino-4,5,6,7-tetrahydro-1-benzothien-3-yl)(4-methylphenyl)methanone
CID 754850
3-(4-chlorobenzoyl)-4H,5H,6H-cyclopenta(b)thiophen-2-amine
CID 859628
(2-Amino-4-(3-(trifluoromethyl)phenyl)thiophen-3-yl)(phenyl)methanone
CID 24873485

Frequently Asked Questions

What is the IUPAC name of (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-phenylmethanone?
The IUPAC name of (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-phenylmethanone (CID 14241840) is (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-phenylmethanone.
What is the SMILES notation for (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-phenylmethanone?
The canonical SMILES for (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-phenylmethanone is Nc1sc2c(c1C(=O)c1ccccc1)CCC2.
What is the InChIKey of (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-phenylmethanone?
The InChIKey is ZIOVYNKDBMOAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c15-14-12(10-7-4-8-11(10)17-14)13(16)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,15H2.
What are the key properties of (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-phenylmethanone?
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-phenylmethanone has a molecular weight of 243.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-phenylmethanone is sourced from PubChem (CID 14241840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).