3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one

C10H13NOS — CID 91401022

IUPAC3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one
SMILESCC(C)/N=C/CC(=O)c1cccs1
InChIInChI=1S/C10H13NOS/c1-8(2)11-6-5-9(12)10-4-3-7-13-10/h3-4,6-8H,5H2,1-2H3/b11-6+
InChIKeyXGPCDYVXHLGTMD-IZZDOVSWSA-N
MW195.29 g/mol
LogP2.80
Rot. Bonds4

About 3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one

3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one (PubChem CID 91401022) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one
PubChem CID91401022
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one
SMILESCC(C)/N=C/CC(=O)c1cccs1
InChIInChI=1S/C10H13NOS/c1-8(2)11-6-5-9(12)10-4-3-7-13-10/h3-4,6-8H,5H2,1-2H3/b11-6+
InChIKeyXGPCDYVXHLGTMD-IZZDOVSWSA-N
XLogP2.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide
CID 94259803
3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one
CID 91896845
1-thiophen-2-ylpropan-1-one
CID 26179
3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one
CID 91896847
3-methyl-1-thiophen-2-ylpentan-1-one
CID 62621870
3-(3,4-difluorophenyl)imino-1-thiophen-2-ylpropan-1-one
CID 91896811
2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone
CID 43795696
4-amino-1-thiophen-2-ylpentan-1-one
CID 116571816
3-amino-4-methyl-1-thiophen-2-ylpentan-1-one
CID 116606438
N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide
CID 110298004
2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate
CID 70634885
2-(butylideneamino)-1-thiophen-2-ylethanone
CID 58171418

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one (CID 91401022) is 3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one is CC(C)/N=C/CC(=O)c1cccs1.
What is the InChIKey of 3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one?
The InChIKey is XGPCDYVXHLGTMD-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H13NOS/c1-8(2)11-6-5-9(12)10-4-3-7-13-10/h3-4,6-8H,5H2,1-2H3/b11-6+.
What are the key properties of 3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one?
3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one has a molecular weight of 195.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 91401022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).