3-[amino(thiophen-2-yl)methyl]-6-methyl-1H-pyridin-2-one

C11H12N2OS — CID 82525562

IUPAC3-[amino(thiophen-2-yl)methyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(N)c2cccs2)c(=O)[nH]1
InChIInChI=1S/C11H12N2OS/c1-7-4-5-8(11(14)13-7)10(12)9-3-2-6-15-9/h2-6,10H,12H2,1H3,(H,13,14)
InChIKeyPFDWNEQAGFHLFX-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.79
Rot. Bonds2

About 3-[amino(thiophen-2-yl)methyl]-6-methyl-1H-pyridin-2-one

3-[amino(thiophen-2-yl)methyl]-6-methyl-1H-pyridin-2-one (PubChem CID 82525562) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-[amino(thiophen-2-yl)methyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[amino(thiophen-2-yl)methyl]-6-methyl-1H-pyridin-2-one
PubChem CID82525562
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name3-[amino(thiophen-2-yl)methyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(N)c2cccs2)c(=O)[nH]1
InChIInChI=1S/C11H12N2OS/c1-7-4-5-8(11(14)13-7)10(12)9-3-2-6-15-9/h2-6,10H,12H2,1H3,(H,13,14)
InChIKeyPFDWNEQAGFHLFX-UHFFFAOYSA-N
XLogP1.79
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine
CID 131300822
(2,5-dimethylthiophen-3-yl)-thiophen-2-ylmethanamine
CID 43464516
3-[(1R)-1-aminopropyl]-6-methyl-1H-pyridin-2-one
CID 131071334
(R)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine
CID 131473320
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
3-[amino(thiophen-2-yl)methyl]-1-methyl-6-(4-methylphenyl)pyridin-2-one
CID 82520922
3-[amino(thiophen-2-yl)methyl]-6-methyl-1-propylpyridin-2-one
CID 82525337
5-[amino(thiophen-2-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 62381378
(S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171201828
(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine
CID 93054120
6-[amino(thiophen-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43464020
(4-methyl-3-pyridinyl)-thiophen-2-ylmethanamine
CID 66274388

Frequently Asked Questions

What is the IUPAC name of 3-[amino(thiophen-2-yl)methyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[amino(thiophen-2-yl)methyl]-6-methyl-1H-pyridin-2-one (CID 82525562) is 3-[amino(thiophen-2-yl)methyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[amino(thiophen-2-yl)methyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[amino(thiophen-2-yl)methyl]-6-methyl-1H-pyridin-2-one is Cc1ccc(C(N)c2cccs2)c(=O)[nH]1.
What is the InChIKey of 3-[amino(thiophen-2-yl)methyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is PFDWNEQAGFHLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-4-5-8(11(14)13-7)10(12)9-3-2-6-15-9/h2-6,10H,12H2,1H3,(H,13,14).
What are the key properties of 3-[amino(thiophen-2-yl)methyl]-6-methyl-1H-pyridin-2-one?
3-[amino(thiophen-2-yl)methyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 220.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(thiophen-2-yl)methyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 82525562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).