N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

C8H15NO3S — CID 18573519

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO3S/c1-3-9(7(2)10)8-4-5-13(11,12)6-8/h8H,3-6H2,1-2H3
InChIKeyVVAQZDFSEBNQAI-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.04
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (PubChem CID 18573519) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
PubChem CID18573519
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO3S/c1-3-9(7(2)10)8-4-5-13(11,12)6-8/h8H,3-6H2,1-2H3
InChIKeyVVAQZDFSEBNQAI-UHFFFAOYSA-N
XLogP0.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-(2-methylpropyl)cyclopropanecarboxamide
CID 16270080
N-(Butan-2-yl)-2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide
CID 3799594
2-Chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-propylacetamide
CID 3813491
N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropanecarboxamide
CID 18573524
N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropanecarboxamide
CID 18573525
N-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)cyclopropanecarboxamide
CID 18573526
2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-ethylacetamide
CID 3161033
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylpropionamide
CID 18573520
Sulfopin-AcA
CID 155804393
N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide
CID 7613961
3-cyclopentylsulfonyl-N,N-diethylpropanamide
CID 45826577
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(trifluoromethylsulfanyl)acetamide
CID 75403162

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (CID 18573519) is N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is CCN(C(C)=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The InChIKey is VVAQZDFSEBNQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-3-9(7(2)10)8-4-5-13(11,12)6-8/h8H,3-6H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide has a molecular weight of 205.28 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is sourced from PubChem (CID 18573519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).