3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide

C9H14N2OS — CID 63246869

IUPAC3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide
SMILESCNCCC(=O)NCc1ccsc1
InChIInChI=1S/C9H14N2OS/c1-10-4-2-9(12)11-6-8-3-5-13-7-8/h3,5,7,10H,2,4,6H2,1H3,(H,11,12)
InChIKeyQZYOMAVGENNNFW-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.97
Rot. Bonds5

About 3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide

3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 63246869) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide
PubChem CID63246869
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide
SMILESCNCCC(=O)NCc1ccsc1
InChIInChI=1S/C9H14N2OS/c1-10-4-2-9(12)11-6-8-3-5-13-7-8/h3,5,7,10H,2,4,6H2,1H3,(H,11,12)
InChIKeyQZYOMAVGENNNFW-UHFFFAOYSA-N
XLogP0.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-(thiophen-3-ylmethyl)heptanamide
CID 63246456
5-amino-N-(thiophen-3-ylmethyl)hexanamide
CID 82851671
3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
CID 63244721
3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide
CID 55694010
2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide
CID 59609658
methyl 2-oxo-2-(thiophen-3-ylmethylamino)acetate
CID 112617233
3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide
CID 91624486
7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid
CID 63244412
6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid
CID 63244762
2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
CID 81322396
1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea
CID 130682664
N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
CID 107233866

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide (CID 63246869) is 3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide is CNCCC(=O)NCc1ccsc1.
What is the InChIKey of 3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is QZYOMAVGENNNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-10-4-2-9(12)11-6-8-3-5-13-7-8/h3,5,7,10H,2,4,6H2,1H3,(H,11,12).
What are the key properties of 3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide?
3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 198.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 63246869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).