(2-aminothiophen-3-yl)-phenylmethanone

C11H9NOS — CID 644720

IUPAC(2-aminothiophen-3-yl)-phenylmethanone
SMILESNc1sccc1C(=O)c1ccccc1
InChIInChI=1S/C11H9NOS/c12-11-9(6-7-14-11)10(13)8-4-2-1-3-5-8/h1-7H,12H2
InChIKeyVXIMIQNIBMDZCM-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.56
Rot. Bonds2

About (2-aminothiophen-3-yl)-phenylmethanone

(2-aminothiophen-3-yl)-phenylmethanone (PubChem CID 644720) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is (2-aminothiophen-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-aminothiophen-3-yl)-phenylmethanone
PubChem CID644720
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name(2-aminothiophen-3-yl)-phenylmethanone
SMILESNc1sccc1C(=O)c1ccccc1
InChIInChI=1S/C11H9NOS/c12-11-9(6-7-14-11)10(13)8-4-2-1-3-5-8/h1-7H,12H2
InChIKeyVXIMIQNIBMDZCM-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

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Frequently Asked Questions

What is the IUPAC name of (2-aminothiophen-3-yl)-phenylmethanone?
The IUPAC name of (2-aminothiophen-3-yl)-phenylmethanone (CID 644720) is (2-aminothiophen-3-yl)-phenylmethanone.
What is the SMILES notation for (2-aminothiophen-3-yl)-phenylmethanone?
The canonical SMILES for (2-aminothiophen-3-yl)-phenylmethanone is Nc1sccc1C(=O)c1ccccc1.
What is the InChIKey of (2-aminothiophen-3-yl)-phenylmethanone?
The InChIKey is VXIMIQNIBMDZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c12-11-9(6-7-14-11)10(13)8-4-2-1-3-5-8/h1-7H,12H2.
What are the key properties of (2-aminothiophen-3-yl)-phenylmethanone?
(2-aminothiophen-3-yl)-phenylmethanone 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 (2-aminothiophen-3-yl)-phenylmethanone is sourced from PubChem (CID 644720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).