1,1-dioxo-N-propan-2-ylthiolane-3-carboxamide

C8H15NO3S — CID 43033534

IUPAC1,1-dioxo-N-propan-2-ylthiolane-3-carboxamide
SMILESCC(C)NC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO3S/c1-6(2)9-8(10)7-3-4-13(11,12)5-7/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyFCAVSZRRYLNQID-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.05
Rot. Bonds2

About 1,1-dioxo-N-propan-2-ylthiolane-3-carboxamide

1,1-dioxo-N-propan-2-ylthiolane-3-carboxamide (PubChem CID 43033534) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 1,1-dioxo-N-propan-2-ylthiolane-3-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-propan-2-ylthiolane-3-carboxamide
PubChem CID43033534
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name1,1-dioxo-N-propan-2-ylthiolane-3-carboxamide
SMILESCC(C)NC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO3S/c1-6(2)9-8(10)7-3-4-13(11,12)5-7/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyFCAVSZRRYLNQID-UHFFFAOYSA-N
XLogP-0.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropanecarboxamide
CID 18573524
2-(1,1-dioxothiolan-3-yl)-N-cyclohexylacetamide
CID 3242717
N-[(3R,4S)-4-methyl-2-oxothiolan-3-yl]acetamide
CID 170988612
N-(1,1-dioxidotetrahydrothiophen-3-yl)butyramide
CID 18573523
2,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64123102
(4S)-4-methanesulfonylpyrrolidin-2-one
CID 130787450
N-[(3S)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide
CID 93848777
2-(1,1-dioxothiolan-3-yl)-N-(2-sulfanylethyl)acetamide
CID 177680466
N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide
CID 7613961
(3R)-N-(4-methylcyclohexyl)-1,1-dioxothiolane-3-carboxamide
CID 25676322
(3R)-N-cyclooctyl-1,1-dioxothiolane-3-carboxamide
CID 40013340
2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide
CID 75414899

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-propan-2-ylthiolane-3-carboxamide?
The IUPAC name of 1,1-dioxo-N-propan-2-ylthiolane-3-carboxamide (CID 43033534) is 1,1-dioxo-N-propan-2-ylthiolane-3-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-propan-2-ylthiolane-3-carboxamide?
The canonical SMILES for 1,1-dioxo-N-propan-2-ylthiolane-3-carboxamide is CC(C)NC(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-propan-2-ylthiolane-3-carboxamide?
The InChIKey is FCAVSZRRYLNQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-6(2)9-8(10)7-3-4-13(11,12)5-7/h6-7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 1,1-dioxo-N-propan-2-ylthiolane-3-carboxamide?
1,1-dioxo-N-propan-2-ylthiolane-3-carboxamide has a molecular weight of 205.28 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-propan-2-ylthiolane-3-carboxamide is sourced from PubChem (CID 43033534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).