1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one

C15H20N2OS — CID 78986308

IUPAC1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one
SMILESCC(C)C(NCCn1ccccc1=O)c1cccs1
InChIInChI=1S/C15H20N2OS/c1-12(2)15(13-6-5-11-19-13)16-8-10-17-9-4-3-7-14(17)18/h3-7,9,11-12,15-16H,8,10H2,1-2H3
InChIKeySGHHLAFUGOMVGD-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.90
Rot. Bonds6

About 1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one

1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one (PubChem CID 78986308) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one
PubChem CID78986308
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one
SMILESCC(C)C(NCCn1ccccc1=O)c1cccs1
InChIInChI=1S/C15H20N2OS/c1-12(2)15(13-6-5-11-19-13)16-8-10-17-9-4-3-7-14(17)18/h3-7,9,11-12,15-16H,8,10H2,1-2H3
InChIKeySGHHLAFUGOMVGD-UHFFFAOYSA-N
XLogP2.90
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
2-methyl-N-(2-piperidin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 60697417
1-ethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridin-2-one
CID 54864039
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 61240692
N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60697416
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine
CID 43768332
1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one
CID 82897398
1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one
CID 82907582
3-[2-(2-oxo-1-pyridinyl)ethylamino]butanamide
CID 115676590
1-[2-(1-cyclopentylethylamino)ethyl]pyridin-2-one
CID 81334184
1-[3-(2-methylpropylamino)propyl]pyridin-2-one
CID 62564337
1-[2-(1-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279959

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one (CID 78986308) is 1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one is CC(C)C(NCCn1ccccc1=O)c1cccs1.
What is the InChIKey of 1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one?
The InChIKey is SGHHLAFUGOMVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-12(2)15(13-6-5-11-19-13)16-8-10-17-9-4-3-7-14(17)18/h3-7,9,11-12,15-16H,8,10H2,1-2H3.
What are the key properties of 1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one?
1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one has a molecular weight of 276.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 78986308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).