3-ethyl-5-[5-[(1-ethylpyrrolidin-2-yl)methylamino]sulfanylthiophen-2-yl]-6-methyl-1H-pyridin-2-one

C19H27N3OS2 — CID 143120478

IUPAC3-ethyl-5-[5-[(1-ethylpyrrolidin-2-yl)methylamino]sulfanylthiophen-2-yl]-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(-c2ccc(SNCC3CCCN3CC)s2)c(C)[nH]c1=O
InChIInChI=1S/C19H27N3OS2/c1-4-14-11-16(13(3)21-19(14)23)17-8-9-18(24-17)25-20-12-15-7-6-10-22(15)5-2/h8-9,11,15,20H,4-7,10,12H2,1-3H3,(H,21,23)
InChIKeyGQMQEQIAXQSSAW-UHFFFAOYSA-N
MW377.58 g/mol
LogP4.06
Rot. Bonds7

About 3-ethyl-5-[5-[(1-ethylpyrrolidin-2-yl)methylamino]sulfanylthiophen-2-yl]-6-methyl-1H-pyridin-2-one

3-ethyl-5-[5-[(1-ethylpyrrolidin-2-yl)methylamino]sulfanylthiophen-2-yl]-6-methyl-1H-pyridin-2-one (PubChem CID 143120478) has the molecular formula C19H27N3OS2 and a molecular weight of 377.58 g/mol. Its IUPAC name is 3-ethyl-5-[5-[(1-ethylpyrrolidin-2-yl)methylamino]sulfanylthiophen-2-yl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-5-[5-[(1-ethylpyrrolidin-2-yl)methylamino]sulfanylthiophen-2-yl]-6-methyl-1H-pyridin-2-one
PubChem CID143120478
Molecular FormulaC19H27N3OS2
Molecular Weight377.58 g/mol
Exact Mass377.16
IUPAC Name3-ethyl-5-[5-[(1-ethylpyrrolidin-2-yl)methylamino]sulfanylthiophen-2-yl]-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(-c2ccc(SNCC3CCCN3CC)s2)c(C)[nH]c1=O
InChIInChI=1S/C19H27N3OS2/c1-4-14-11-16(13(3)21-19(14)23)17-8-9-18(24-17)25-20-12-15-7-6-10-22(15)5-2/h8-9,11,15,20H,4-7,10,12H2,1-3H3,(H,21,23)
InChIKeyGQMQEQIAXQSSAW-UHFFFAOYSA-N
XLogP4.06
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.58
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride
CID 71082906
3-ethyl-5-[5-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propylsulfonyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one
CID 157244439
ethane;3-ethyl-5-[5-[(3-methoxypiperidin-1-yl)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one
CID 143120430
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 58808675
N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 11533544
3-ethyl-6-methyl-5-[5-[(3-methylbutan-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one
CID 58808576
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 51054939
5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one
CID 115576964
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
N-[(2,5-dimethylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 60657747
5-(4-hydroxyphenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 75424513
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 97266216

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[5-[(1-ethylpyrrolidin-2-yl)methylamino]sulfanylthiophen-2-yl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-5-[5-[(1-ethylpyrrolidin-2-yl)methylamino]sulfanylthiophen-2-yl]-6-methyl-1H-pyridin-2-one (CID 143120478) is 3-ethyl-5-[5-[(1-ethylpyrrolidin-2-yl)methylamino]sulfanylthiophen-2-yl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-5-[5-[(1-ethylpyrrolidin-2-yl)methylamino]sulfanylthiophen-2-yl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-5-[5-[(1-ethylpyrrolidin-2-yl)methylamino]sulfanylthiophen-2-yl]-6-methyl-1H-pyridin-2-one is CCc1cc(-c2ccc(SNCC3CCCN3CC)s2)c(C)[nH]c1=O.
What is the InChIKey of 3-ethyl-5-[5-[(1-ethylpyrrolidin-2-yl)methylamino]sulfanylthiophen-2-yl]-6-methyl-1H-pyridin-2-one?
The InChIKey is GQMQEQIAXQSSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS2/c1-4-14-11-16(13(3)21-19(14)23)17-8-9-18(24-17)25-20-12-15-7-6-10-22(15)5-2/h8-9,11,15,20H,4-7,10,12H2,1-3H3,(H,21,23).
What are the key properties of 3-ethyl-5-[5-[(1-ethylpyrrolidin-2-yl)methylamino]sulfanylthiophen-2-yl]-6-methyl-1H-pyridin-2-one?
3-ethyl-5-[5-[(1-ethylpyrrolidin-2-yl)methylamino]sulfanylthiophen-2-yl]-6-methyl-1H-pyridin-2-one has a molecular weight of 377.58 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[5-[(1-ethylpyrrolidin-2-yl)methylamino]sulfanylthiophen-2-yl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 143120478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).