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

C10H19NO4S — CID 62332937

IUPAC2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCC(O)CN(C)C(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO4S/c1-8(12)6-11(2)10(13)5-9-3-4-16(14,15)7-9/h8-9,12H,3-7H2,1-2H3
InChIKeyZDRILELEGVZDAP-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.35
Rot. Bonds4

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

2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxypropyl)-N-methylacetamide (PubChem CID 62332937) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxypropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxypropyl)-N-methylacetamide
PubChem CID62332937
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCC(O)CN(C)C(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO4S/c1-8(12)6-11(2)10(13)5-9-3-4-16(14,15)7-9/h8-9,12H,3-7H2,1-2H3
InChIKeyZDRILELEGVZDAP-UHFFFAOYSA-N
XLogP-0.35
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 43649177
2-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 9186774
2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
CID 171049196
2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102634378
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 78814169
2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide
CID 107299589
2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593410
N-[(3-chlorophenyl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 78813337
N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717
N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 70777786
N-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 66216056
3-(1,1-dioxothiolan-3-yl)-2-methylpropanoic acid
CID 84779133

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxypropyl)-N-methylacetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxypropyl)-N-methylacetamide (CID 62332937) is 2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxypropyl)-N-methylacetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxypropyl)-N-methylacetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxypropyl)-N-methylacetamide is CC(O)CN(C)C(=O)CC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxypropyl)-N-methylacetamide?
The InChIKey is ZDRILELEGVZDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-8(12)6-11(2)10(13)5-9-3-4-16(14,15)7-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxypropyl)-N-methylacetamide?
2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxypropyl)-N-methylacetamide has a molecular weight of 249.33 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxypropyl)-N-methylacetamide is sourced from PubChem (CID 62332937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).