N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(oxan-3-yl)acetamide

C13H23NO4S — CID 110853784

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(oxan-3-yl)acetamide
SMILESCCN(C(=O)CC1CCCOC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H23NO4S/c1-2-14(12-5-7-19(16,17)10-12)13(15)8-11-4-3-6-18-9-11/h11-12H,2-10H2,1H3
InChIKeyYBFHSWWGDFVKKK-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.84
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(oxan-3-yl)acetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(oxan-3-yl)acetamide (PubChem CID 110853784) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(oxan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(oxan-3-yl)acetamide
PubChem CID110853784
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(oxan-3-yl)acetamide
SMILESCCN(C(=O)CC1CCCOC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H23NO4S/c1-2-14(12-5-7-19(16,17)10-12)13(15)8-11-4-3-6-18-9-11/h11-12H,2-10H2,1H3
InChIKeyYBFHSWWGDFVKKK-UHFFFAOYSA-N
XLogP0.84
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-methylpiperidin-4-yl)acetamide
CID 110754658
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110853781
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
methyl 4-[(1,1-dioxothiolan-3-yl)-ethylamino]-4-oxobutanoate
CID 110755941
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016730
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid
CID 43399752
2-(2,3-dihydro-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 110753788
N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide
CID 109003505
1-(1,1-dioxothiolan-3-yl)-1,3,3-triethylurea
CID 108989786
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109017385
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(oxolan-3-ylmethylamino)acetamide
CID 18801466

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(oxan-3-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(oxan-3-yl)acetamide (CID 110853784) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(oxan-3-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(oxan-3-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(oxan-3-yl)acetamide is CCN(C(=O)CC1CCCOC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(oxan-3-yl)acetamide?
The InChIKey is YBFHSWWGDFVKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-2-14(12-5-7-19(16,17)10-12)13(15)8-11-4-3-6-18-9-11/h11-12H,2-10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(oxan-3-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(oxan-3-yl)acetamide has a molecular weight of 289.40 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(oxan-3-yl)acetamide is sourced from PubChem (CID 110853784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).