(2S)-2-anilino-1-thiophen-2-ylpropan-1-one

C13H13NOS — CID 155933844

IUPAC(2S)-2-anilino-1-thiophen-2-ylpropan-1-one
SMILESC[C@H](Nc1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C13H13NOS/c1-10(13(15)12-8-5-9-16-12)14-11-6-3-2-4-7-11/h2-10,14H,1H3/t10-/m0/s1
InChIKeyGFCLTKVKCUZILM-JTQLQIEISA-N
MW231.32 g/mol
LogP3.43
Rot. Bonds4

About (2S)-2-anilino-1-thiophen-2-ylpropan-1-one

(2S)-2-anilino-1-thiophen-2-ylpropan-1-one (PubChem CID 155933844) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is (2S)-2-anilino-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-anilino-1-thiophen-2-ylpropan-1-one
PubChem CID155933844
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name(2S)-2-anilino-1-thiophen-2-ylpropan-1-one
SMILESC[C@H](Nc1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C13H13NOS/c1-10(13(15)12-8-5-9-16-12)14-11-6-3-2-4-7-11/h2-10,14H,1H3/t10-/m0/s1
InChIKeyGFCLTKVKCUZILM-JTQLQIEISA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one
CID 93492517
2-anilino-1-phenylpropan-1-one
CID 577481
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
propan-2-amine;thiophene-2-carboxylic acid
CID 174701743
2-anilinopropanoic acid;hydrochloride
CID 19096756
(2R)-2-anilinopropanoate
CID 6946450
2-anilinopropanoate
CID 19754798
(2S)-2-anilinopropanethioic S-acid
CID 87999378
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
methyl 2-anilinopropanoate
CID 3417283
acetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine
CID 2833779

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilino-1-thiophen-2-ylpropan-1-one?
The IUPAC name of (2S)-2-anilino-1-thiophen-2-ylpropan-1-one (CID 155933844) is (2S)-2-anilino-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for (2S)-2-anilino-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for (2S)-2-anilino-1-thiophen-2-ylpropan-1-one is C[C@H](Nc1ccccc1)C(=O)c1cccs1.
What is the InChIKey of (2S)-2-anilino-1-thiophen-2-ylpropan-1-one?
The InChIKey is GFCLTKVKCUZILM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13NOS/c1-10(13(15)12-8-5-9-16-12)14-11-6-3-2-4-7-11/h2-10,14H,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-anilino-1-thiophen-2-ylpropan-1-one?
(2S)-2-anilino-1-thiophen-2-ylpropan-1-one has a molecular weight of 231.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilino-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 155933844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).