2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

C9H16N2O4S — CID 110687013

IUPAC2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCC(=O)NCC(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H16N2O4S/c1-7(12)10-5-9(13)11(2)8-3-4-16(14,15)6-8/h8H,3-6H2,1-2H3,(H,10,12)
InChIKeyWRAJVSQTNYPFSD-UHFFFAOYSA-N
MW248.30 g/mol
LogP-1.23
Rot. Bonds3

About 2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (PubChem CID 110687013) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
PubChem CID110687013
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCC(=O)NCC(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H16N2O4S/c1-7(12)10-5-9(13)11(2)8-3-4-16(14,15)6-8/h8H,3-6H2,1-2H3,(H,10,12)
InChIKeyWRAJVSQTNYPFSD-UHFFFAOYSA-N
XLogP-1.23
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide
CID 47412407
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 60671834
2-[[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65265770
N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 51238277
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid
CID 43649063
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876
N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 110755793
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
CID 3450541
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112993811
(3Z)-3-amino-N-(1,1-dioxothiolan-3-yl)-3-hydroxyimino-N-methylpropanamide
CID 43649050

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The IUPAC name of 2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (CID 110687013) is 2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The canonical SMILES for 2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is CC(=O)NCC(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The InChIKey is WRAJVSQTNYPFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-7(12)10-5-9(13)11(2)8-3-4-16(14,15)6-8/h8H,3-6H2,1-2H3,(H,10,12).
What are the key properties of 2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide has a molecular weight of 248.30 g/mol, XLogP of -1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is sourced from PubChem (CID 110687013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).