2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one

C11H17NOS — CID 116553665

IUPAC2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one
SMILESCc1cc(C(=O)C(N)CC(C)C)cs1
InChIInChI=1S/C11H17NOS/c1-7(2)4-10(12)11(13)9-5-8(3)14-6-9/h5-7,10H,4,12H2,1-3H3
InChIKeyCUEOHRPMJQFSAZ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.61
Rot. Bonds4

About 2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one

2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one (PubChem CID 116553665) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one
PubChem CID116553665
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one
SMILESCc1cc(C(=O)C(N)CC(C)C)cs1
InChIInChI=1S/C11H17NOS/c1-7(2)4-10(12)11(13)9-5-8(3)14-6-9/h5-7,10H,4,12H2,1-3H3
InChIKeyCUEOHRPMJQFSAZ-UHFFFAOYSA-N
XLogP2.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one
CID 103451508
2-(aminomethyl)-3-methyl-1-(5-methylthiophen-3-yl)butan-1-one
CID 116574089
(2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one
CID 10104411
2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one
CID 79617007
2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one
CID 116587029
2-amino-1-(3,4-dichlorophenyl)-4-methylpentan-1-one
CID 116553625
3-[(2S)-2-amino-4-methylpentanoyl]benzoic acid
CID 141035266
(2R)-2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 102464315
2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 116553536
1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone
CID 105106137
1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one
CID 114975971
2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one
CID 107514837

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one?
The IUPAC name of 2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one (CID 116553665) is 2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one.
What is the SMILES notation for 2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one?
The canonical SMILES for 2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one is Cc1cc(C(=O)C(N)CC(C)C)cs1.
What is the InChIKey of 2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one?
The InChIKey is CUEOHRPMJQFSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-7(2)4-10(12)11(13)9-5-8(3)14-6-9/h5-7,10H,4,12H2,1-3H3.
What are the key properties of 2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one?
2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one has a molecular weight of 211.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one is sourced from PubChem (CID 116553665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).