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

C11H17NOS — CID 102839336

IUPAC2-amino-2-methyl-1-(2-methylthiophen-3-yl)pentan-1-one
SMILESCCCC(C)(N)C(=O)c1ccsc1C
InChIInChI=1S/C11H17NOS/c1-4-6-11(3,12)10(13)9-5-7-14-8(9)2/h5,7H,4,6,12H2,1-3H3
InChIKeyUTTZPJASRZTEQF-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.76
Rot. Bonds4

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

2-amino-2-methyl-1-(2-methylthiophen-3-yl)pentan-1-one (PubChem CID 102839336) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(2-methylthiophen-3-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-(2-methylthiophen-3-yl)pentan-1-one
PubChem CID102839336
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-amino-2-methyl-1-(2-methylthiophen-3-yl)pentan-1-one
SMILESCCCC(C)(N)C(=O)c1ccsc1C
InChIInChI=1S/C11H17NOS/c1-4-6-11(3,12)10(13)9-5-7-14-8(9)2/h5,7H,4,6,12H2,1-3H3
InChIKeyUTTZPJASRZTEQF-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(2-methylthiophen-3-yl)pentan-1-one?
The IUPAC name of 2-amino-2-methyl-1-(2-methylthiophen-3-yl)pentan-1-one (CID 102839336) is 2-amino-2-methyl-1-(2-methylthiophen-3-yl)pentan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-(2-methylthiophen-3-yl)pentan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-(2-methylthiophen-3-yl)pentan-1-one is CCCC(C)(N)C(=O)c1ccsc1C.
What is the InChIKey of 2-amino-2-methyl-1-(2-methylthiophen-3-yl)pentan-1-one?
The InChIKey is UTTZPJASRZTEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-4-6-11(3,12)10(13)9-5-7-14-8(9)2/h5,7H,4,6,12H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-(2-methylthiophen-3-yl)pentan-1-one?
2-amino-2-methyl-1-(2-methylthiophen-3-yl)pentan-1-one has a molecular weight of 211.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(2-methylthiophen-3-yl)pentan-1-one is sourced from PubChem (CID 102839336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).