2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide

C8H14N2O3S — CID 60694028

IUPAC2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNC1C=CS(=O)(=O)C1
InChIInChI=1S/C8H14N2O3S/c1-2-9-8(11)5-10-7-3-4-14(12,13)6-7/h3-4,7,10H,2,5-6H2,1H3,(H,9,11)
InChIKeyAPFXGGYXJRPNOX-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.98
Rot. Bonds4

About 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide

2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide (PubChem CID 60694028) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide
PubChem CID60694028
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNC1C=CS(=O)(=O)C1
InChIInChI=1S/C8H14N2O3S/c1-2-9-8(11)5-10-7-3-4-14(12,13)6-7/h3-4,7,10H,2,5-6H2,1H3,(H,9,11)
InChIKeyAPFXGGYXJRPNOX-UHFFFAOYSA-N
XLogP-0.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
CID 60694060
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60694173
N-(2,3-dichloroprop-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 79167277
N-(3-methylbut-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 103605385
3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104644664
1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-propylurea
CID 102551532
(Z)-4-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-2-ethylbut-2-enoic acid
CID 103255036
1-butyl-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea
CID 43828062
N-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 80693750
N-[2-[[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]methyl]phenyl]acetamide
CID 66419453
O-ethyl N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamothioate
CID 43827766
2-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 2531901

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide?
The IUPAC name of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide (CID 60694028) is 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide is CCNC(=O)CNC1C=CS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide?
The InChIKey is APFXGGYXJRPNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-2-9-8(11)5-10-7-3-4-14(12,13)6-7/h3-4,7,10H,2,5-6H2,1H3,(H,9,11).
What are the key properties of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide?
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide has a molecular weight of 218.28 g/mol, XLogP of -0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide is sourced from PubChem (CID 60694028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).