1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one

C9H14N2OS — CID 112708944

IUPAC1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one
SMILESCN(CC(=O)CN)Cc1cccs1
InChIInChI=1S/C9H14N2OS/c1-11(6-8(12)5-10)7-9-3-2-4-13-9/h2-4H,5-7,10H2,1H3
InChIKeyKOQMIRMPOMGIHU-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.71
Rot. Bonds5

About 1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one

1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one (PubChem CID 112708944) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one.

Molecular Properties

Compound Name1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one
PubChem CID112708944
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one
SMILESCN(CC(=O)CN)Cc1cccs1
InChIInChI=1S/C9H14N2OS/c1-11(6-8(12)5-10)7-9-3-2-4-13-9/h2-4H,5-7,10H2,1H3
InChIKeyKOQMIRMPOMGIHU-UHFFFAOYSA-N
XLogP0.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
1-(4-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650537
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 43527556
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65228216
2-(chloromethyl)-N-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 103067645
N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 65247464
2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
CID 60650562
1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62053358
1-(2,5-dichlorothiophen-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62050817
1-(2-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650482
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 79652724

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one?
The IUPAC name of 1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one (CID 112708944) is 1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one.
What is the SMILES notation for 1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one?
The canonical SMILES for 1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one is CN(CC(=O)CN)Cc1cccs1.
What is the InChIKey of 1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one?
The InChIKey is KOQMIRMPOMGIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-11(6-8(12)5-10)7-9-3-2-4-13-9/h2-4H,5-7,10H2,1H3.
What are the key properties of 1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one?
1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one has a molecular weight of 198.29 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one is sourced from PubChem (CID 112708944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).