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

C15H15NOS — CID 860207

IUPAC(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(N)sc3c2CCC3)cc1
InChIInChI=1S/C15H15NOS/c1-9-5-7-10(8-6-9)14(17)13-11-3-2-4-12(11)18-15(13)16/h5-8H,2-4,16H2,1H3
InChIKeyBWHNGJOLVNWJSU-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.36
Rot. Bonds2

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

(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone (PubChem CID 860207) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone
PubChem CID860207
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(N)sc3c2CCC3)cc1
InChIInChI=1S/C15H15NOS/c1-9-5-7-10(8-6-9)14(17)13-11-3-2-4-12(11)18-15(13)16/h5-8H,2-4,16H2,1H3
InChIKeyBWHNGJOLVNWJSU-UHFFFAOYSA-N
XLogP3.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.36
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-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone
CID 178016497
4-(2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)benzonitrile
CID 10858964
1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone
CID 65354676
2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 5151249
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone
CID 11129084
2-amino-N,N-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 43174823
(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 66603492
(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-pyridin-3-ylmethanone
CID 66603691
(2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)-(3-iodophenyl)methanone
CID 10862217
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone
CID 43463038
2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 673603
methyl 2-[2-[[3-(4-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]-2-oxoethoxy]acetate
CID 167958174

Frequently Asked Questions

What is the IUPAC name of (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone?
The IUPAC name of (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone (CID 860207) is (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2c(N)sc3c2CCC3)cc1.
What is the InChIKey of (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone?
The InChIKey is BWHNGJOLVNWJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-9-5-7-10(8-6-9)14(17)13-11-3-2-4-12(11)18-15(13)16/h5-8H,2-4,16H2,1H3.
What are the key properties of (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone?
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone has a molecular weight of 257.36 g/mol, XLogP of 3.36, 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)-(4-methylphenyl)methanone is sourced from PubChem (CID 860207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).