2-[acetyl(oxolan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide

C13H22N2O5S — CID 113160234

IUPAC2-[acetyl(oxolan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)N(CC(=O)NC1CCS(=O)(=O)C1)CC1CCCO1
InChIInChI=1S/C13H22N2O5S/c1-10(16)15(7-12-3-2-5-20-12)8-13(17)14-11-4-6-21(18,19)9-11/h11-12H,2-9H2,1H3,(H,14,17)
InChIKeyFXGLRAKZDHJNSO-UHFFFAOYSA-N
MW318.40 g/mol
LogP-0.68
Rot. Bonds5

About 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide

2-[acetyl(oxolan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 113160234) has the molecular formula C13H22N2O5S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[acetyl(oxolan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID113160234
Molecular FormulaC13H22N2O5S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-[acetyl(oxolan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)N(CC(=O)NC1CCS(=O)(=O)C1)CC1CCCO1
InChIInChI=1S/C13H22N2O5S/c1-10(16)15(7-12-3-2-5-20-12)8-13(17)14-11-4-6-21(18,19)9-11/h11-12H,2-9H2,1H3,(H,14,17)
InChIKeyFXGLRAKZDHJNSO-UHFFFAOYSA-N
XLogP-0.68
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113137971
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113160630
3-[acetyl(3-methoxypropyl)amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113117111
1,3-bis(1,1-dioxothiolan-3-yl)-1-(oxolan-2-ylmethyl)thiourea
CID 3788612
tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 96511062
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113165584
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160273
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 7939615
1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine;hydrochloride
CID 2980201
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409966
2-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113160229

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 113160234) is 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide is CC(=O)N(CC(=O)NC1CCS(=O)(=O)C1)CC1CCCO1.
What is the InChIKey of 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is FXGLRAKZDHJNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-10(16)15(7-12-3-2-5-20-12)8-13(17)14-11-4-6-21(18,19)9-11/h11-12H,2-9H2,1H3,(H,14,17).
What are the key properties of 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[acetyl(oxolan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 318.40 g/mol, XLogP of -0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 113160234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).