5-[(1,1-dioxothian-3-yl)amino]-1-ethylpyridin-2-one

C12H18N2O3S — CID 63923225

IUPAC5-[(1,1-dioxothian-3-yl)amino]-1-ethylpyridin-2-one
SMILESCCn1cc(NC2CCCS(=O)(=O)C2)ccc1=O
InChIInChI=1S/C12H18N2O3S/c1-2-14-8-10(5-6-12(14)15)13-11-4-3-7-18(16,17)9-11/h5-6,8,11,13H,2-4,7,9H2,1H3
InChIKeyBKAYJNSRLGJTRS-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.86
Rot. Bonds3

About 5-[(1,1-dioxothian-3-yl)amino]-1-ethylpyridin-2-one

5-[(1,1-dioxothian-3-yl)amino]-1-ethylpyridin-2-one (PubChem CID 63923225) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 5-[(1,1-dioxothian-3-yl)amino]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-[(1,1-dioxothian-3-yl)amino]-1-ethylpyridin-2-one
PubChem CID63923225
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name5-[(1,1-dioxothian-3-yl)amino]-1-ethylpyridin-2-one
SMILESCCn1cc(NC2CCCS(=O)(=O)C2)ccc1=O
InChIInChI=1S/C12H18N2O3S/c1-2-14-8-10(5-6-12(14)15)13-11-4-3-7-18(16,17)9-11/h5-6,8,11,13H,2-4,7,9H2,1H3
InChIKeyBKAYJNSRLGJTRS-UHFFFAOYSA-N
XLogP0.86
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropylamino)-1-ethylpyridin-2-one
CID 103439175
5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one
CID 54863769
N-(4-fluorophenyl)-1,1-dioxothian-3-amine
CID 63910257
5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one
CID 65080429
N-[4-methyl-3-(trifluoromethyl)phenyl]-1,1-dioxothian-3-amine
CID 63924016
1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]thian-3-amine
CID 63909870
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,1-dioxothian-3-amine
CID 103913826
4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide
CID 63908905
5-(cycloheptylamino)-1-(2-methoxyethyl)pyridin-2-one
CID 43733432
5-[(4-propan-2-ylcycloheptyl)amino]-1-propylpyridin-2-one
CID 65091016
methyl 2-[4-[(1,1-dioxothian-3-yl)amino]phenoxy]acetate
CID 63911633
1,1-dioxo-N-[4-(tetrazol-1-yl)phenyl]thian-3-amine
CID 63910839

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothian-3-yl)amino]-1-ethylpyridin-2-one?
The IUPAC name of 5-[(1,1-dioxothian-3-yl)amino]-1-ethylpyridin-2-one (CID 63923225) is 5-[(1,1-dioxothian-3-yl)amino]-1-ethylpyridin-2-one.
What is the SMILES notation for 5-[(1,1-dioxothian-3-yl)amino]-1-ethylpyridin-2-one?
The canonical SMILES for 5-[(1,1-dioxothian-3-yl)amino]-1-ethylpyridin-2-one is CCn1cc(NC2CCCS(=O)(=O)C2)ccc1=O.
What is the InChIKey of 5-[(1,1-dioxothian-3-yl)amino]-1-ethylpyridin-2-one?
The InChIKey is BKAYJNSRLGJTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-2-14-8-10(5-6-12(14)15)13-11-4-3-7-18(16,17)9-11/h5-6,8,11,13H,2-4,7,9H2,1H3.
What are the key properties of 5-[(1,1-dioxothian-3-yl)amino]-1-ethylpyridin-2-one?
5-[(1,1-dioxothian-3-yl)amino]-1-ethylpyridin-2-one has a molecular weight of 270.35 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothian-3-yl)amino]-1-ethylpyridin-2-one is sourced from PubChem (CID 63923225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).