1-amino-3-methyl-1-thiophen-2-ylpentan-2-one

C10H15NOS — CID 116601464

IUPAC1-amino-3-methyl-1-thiophen-2-ylpentan-2-one
SMILESCCC(C)C(=O)C(N)c1cccs1
InChIInChI=1S/C10H15NOS/c1-3-7(2)10(12)9(11)8-5-4-6-13-8/h4-7,9H,3,11H2,1-2H3
InChIKeyDEDKMBVADUVKGT-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.36
Rot. Bonds4

About 1-amino-3-methyl-1-thiophen-2-ylpentan-2-one

1-amino-3-methyl-1-thiophen-2-ylpentan-2-one (PubChem CID 116601464) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-amino-3-methyl-1-thiophen-2-ylpentan-2-one.

Molecular Properties

Compound Name1-amino-3-methyl-1-thiophen-2-ylpentan-2-one
PubChem CID116601464
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name1-amino-3-methyl-1-thiophen-2-ylpentan-2-one
SMILESCCC(C)C(=O)C(N)c1cccs1
InChIInChI=1S/C10H15NOS/c1-3-7(2)10(12)9(11)8-5-4-6-13-8/h4-7,9H,3,11H2,1-2H3
InChIKeyDEDKMBVADUVKGT-UHFFFAOYSA-N
XLogP2.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
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2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
2-amino-N-methyl-N-propan-2-yl-2-thiophen-2-ylacetamide
CID 115285914
2-amino-N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115286053
1-amino-6-methyl-1-thiophen-2-ylheptan-2-one
CID 116601583
2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide
CID 107221006
2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-methylpentanoic acid
CID 113279146
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide
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2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-1-thiophen-2-ylpentan-2-one?
The IUPAC name of 1-amino-3-methyl-1-thiophen-2-ylpentan-2-one (CID 116601464) is 1-amino-3-methyl-1-thiophen-2-ylpentan-2-one.
What is the SMILES notation for 1-amino-3-methyl-1-thiophen-2-ylpentan-2-one?
The canonical SMILES for 1-amino-3-methyl-1-thiophen-2-ylpentan-2-one is CCC(C)C(=O)C(N)c1cccs1.
What is the InChIKey of 1-amino-3-methyl-1-thiophen-2-ylpentan-2-one?
The InChIKey is DEDKMBVADUVKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-3-7(2)10(12)9(11)8-5-4-6-13-8/h4-7,9H,3,11H2,1-2H3.
What are the key properties of 1-amino-3-methyl-1-thiophen-2-ylpentan-2-one?
1-amino-3-methyl-1-thiophen-2-ylpentan-2-one has a molecular weight of 197.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-1-thiophen-2-ylpentan-2-one is sourced from PubChem (CID 116601464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).