(3-aminophenyl)-thiophen-2-ylmethanone

C11H9NOS — CID 23009095

IUPAC(3-aminophenyl)-thiophen-2-ylmethanone
SMILESNc1cccc(C(=O)c2cccs2)c1
InChIInChI=1S/C11H9NOS/c12-9-4-1-3-8(7-9)11(13)10-5-2-6-14-10/h1-7H,12H2
InChIKeyNAOSAFFBRSHIPI-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.56
Rot. Bonds2

About (3-aminophenyl)-thiophen-2-ylmethanone

(3-aminophenyl)-thiophen-2-ylmethanone (PubChem CID 23009095) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is (3-aminophenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-aminophenyl)-thiophen-2-ylmethanone
PubChem CID23009095
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name(3-aminophenyl)-thiophen-2-ylmethanone
SMILESNc1cccc(C(=O)c2cccs2)c1
InChIInChI=1S/C11H9NOS/c12-9-4-1-3-8(7-9)11(13)10-5-2-6-14-10/h1-7H,12H2
InChIKeyNAOSAFFBRSHIPI-UHFFFAOYSA-N
XLogP2.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-bromophenyl)-thiophen-2-ylmethanone
CID 5305254
(3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689053
3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 39354555
(3-aminophenyl)-phenylmethanone
CID 17817
(5-amino-2-chlorophenyl)-thiophen-2-ylmethanone
CID 54011537
(3-aminophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531807
(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
CID 69316817
[2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride
CID 131667569
2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone
CID 116613111
3-(3-aminobenzoyl)benzoic acid
CID 18974175
5-(thiophene-2-carbonyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 23341008

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-thiophen-2-ylmethanone?
The IUPAC name of (3-aminophenyl)-thiophen-2-ylmethanone (CID 23009095) is (3-aminophenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-aminophenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-aminophenyl)-thiophen-2-ylmethanone is Nc1cccc(C(=O)c2cccs2)c1.
What is the InChIKey of (3-aminophenyl)-thiophen-2-ylmethanone?
The InChIKey is NAOSAFFBRSHIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c12-9-4-1-3-8(7-9)11(13)10-5-2-6-14-10/h1-7H,12H2.
What are the key properties of (3-aminophenyl)-thiophen-2-ylmethanone?
(3-aminophenyl)-thiophen-2-ylmethanone has a molecular weight of 203.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 23009095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).