4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one

C10H15NOS — CID 60648007

IUPAC4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
SMILESCC(=O)CCN(C)Cc1cccs1
InChIInChI=1S/C10H15NOS/c1-9(12)5-6-11(2)8-10-4-3-7-13-10/h3-4,7H,5-6,8H2,1-2H3
InChIKeyUOALSFJTUAWYBS-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.16
Rot. Bonds5

About 4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one

4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one (PubChem CID 60648007) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one.

Molecular Properties

Compound Name4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
PubChem CID60648007
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
SMILESCC(=O)CCN(C)Cc1cccs1
InChIInChI=1S/C10H15NOS/c1-9(12)5-6-11(2)8-10-4-3-7-13-10/h3-4,7H,5-6,8H2,1-2H3
InChIKeyUOALSFJTUAWYBS-UHFFFAOYSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one
CID 79486633
2,2-dimethyl-4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 65247891
N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 123818114
1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 112708944
1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one
CID 60692557
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 61287126
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 43527556
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one
CID 79486782

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one?
The IUPAC name of 4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one (CID 60648007) is 4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one.
What is the SMILES notation for 4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one?
The canonical SMILES for 4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one is CC(=O)CCN(C)Cc1cccs1.
What is the InChIKey of 4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one?
The InChIKey is UOALSFJTUAWYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-9(12)5-6-11(2)8-10-4-3-7-13-10/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one?
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one has a molecular weight of 197.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one is sourced from PubChem (CID 60648007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).