2-amino-4-methoxy-1-(2-methylthiophen-3-yl)butan-1-one

C10H15NO2S — CID 102839408

IUPAC2-amino-4-methoxy-1-(2-methylthiophen-3-yl)butan-1-one
SMILESCOCCC(N)C(=O)c1ccsc1C
InChIInChI=1S/C10H15NO2S/c1-7-8(4-6-14-7)10(12)9(11)3-5-13-2/h4,6,9H,3,5,11H2,1-2H3
InChIKeySUYROMXWVOZYLR-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.60
Rot. Bonds5

About 2-amino-4-methoxy-1-(2-methylthiophen-3-yl)butan-1-one

2-amino-4-methoxy-1-(2-methylthiophen-3-yl)butan-1-one (PubChem CID 102839408) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-amino-4-methoxy-1-(2-methylthiophen-3-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-4-methoxy-1-(2-methylthiophen-3-yl)butan-1-one
PubChem CID102839408
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-amino-4-methoxy-1-(2-methylthiophen-3-yl)butan-1-one
SMILESCOCCC(N)C(=O)c1ccsc1C
InChIInChI=1S/C10H15NO2S/c1-7-8(4-6-14-7)10(12)9(11)3-5-13-2/h4,6,9H,3,5,11H2,1-2H3
InChIKeySUYROMXWVOZYLR-UHFFFAOYSA-N
XLogP1.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-1-(2-methylthiophen-3-yl)butan-1-one?
The IUPAC name of 2-amino-4-methoxy-1-(2-methylthiophen-3-yl)butan-1-one (CID 102839408) is 2-amino-4-methoxy-1-(2-methylthiophen-3-yl)butan-1-one.
What is the SMILES notation for 2-amino-4-methoxy-1-(2-methylthiophen-3-yl)butan-1-one?
The canonical SMILES for 2-amino-4-methoxy-1-(2-methylthiophen-3-yl)butan-1-one is COCCC(N)C(=O)c1ccsc1C.
What is the InChIKey of 2-amino-4-methoxy-1-(2-methylthiophen-3-yl)butan-1-one?
The InChIKey is SUYROMXWVOZYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7-8(4-6-14-7)10(12)9(11)3-5-13-2/h4,6,9H,3,5,11H2,1-2H3.
What are the key properties of 2-amino-4-methoxy-1-(2-methylthiophen-3-yl)butan-1-one?
2-amino-4-methoxy-1-(2-methylthiophen-3-yl)butan-1-one has a molecular weight of 213.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-1-(2-methylthiophen-3-yl)butan-1-one is sourced from PubChem (CID 102839408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).