N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide

C12H20N2O5S — CID 112993782

IUPACN-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide
SMILESO=C(CNC(=O)C1CCOCC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H20N2O5S/c15-11(14-10-3-6-20(17,18)8-10)7-13-12(16)9-1-4-19-5-2-9/h9-10H,1-8H2,(H,13,16)(H,14,15)
InChIKeyVQAQISVBGCDZRT-UHFFFAOYSA-N
MW304.37 g/mol
LogP-1.17
Rot. Bonds4

About N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide

N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide (PubChem CID 112993782) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide
PubChem CID112993782
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC NameN-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide
SMILESO=C(CNC(=O)C1CCOCC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H20N2O5S/c15-11(14-10-3-6-20(17,18)8-10)7-13-12(16)9-1-4-19-5-2-9/h9-10H,1-8H2,(H,13,16)(H,14,15)
InChIKeyVQAQISVBGCDZRT-UHFFFAOYSA-N
XLogP-1.17
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 110673345
N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994771
N-(1,1-dioxothiolan-3-yl)-2-[2-(1,1-dioxothiolan-3-yl)hydrazinyl]acetamide
CID 18801502
N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 60668703
methyl 4-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 110673347
N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 40917372
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide
CID 110406991
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46559066
N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]oxane-4-carboxamide
CID 166222335
N-[2-oxo-2-(propan-2-ylamino)ethyl]oxane-4-carboxamide
CID 51220547
1-(1,1-dioxothiolan-3-yl)-3-(oxolan-3-yl)urea
CID 115755745

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide (CID 112993782) is N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide is O=C(CNC(=O)C1CCOCC1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide?
The InChIKey is VQAQISVBGCDZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c15-11(14-10-3-6-20(17,18)8-10)7-13-12(16)9-1-4-19-5-2-9/h9-10H,1-8H2,(H,13,16)(H,14,15).
What are the key properties of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide?
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide has a molecular weight of 304.37 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide is sourced from PubChem (CID 112993782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).