2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(ethylcarbamoyl)acetamide

C10H19N3O4S — CID 47109658

IUPAC2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19N3O4S/c1-3-11-10(15)12-9(14)6-13(2)8-4-5-18(16,17)7-8/h8H,3-7H2,1-2H3,(H2,11,12,14,15)
InChIKeyHFHKHGXIHWENNE-UHFFFAOYSA-N
MW277.35 g/mol
LogP-1.05
Rot. Bonds4

About 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(ethylcarbamoyl)acetamide

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(ethylcarbamoyl)acetamide (PubChem CID 47109658) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(ethylcarbamoyl)acetamide
PubChem CID47109658
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19N3O4S/c1-3-11-10(15)12-9(14)6-13(2)8-4-5-18(16,17)7-8/h8H,3-7H2,1-2H3,(H2,11,12,14,15)
InChIKeyHFHKHGXIHWENNE-UHFFFAOYSA-N
XLogP-1.05
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(ethylcarbamoyl)acetamide (CID 47109658) is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(ethylcarbamoyl)acetamide?
The InChIKey is HFHKHGXIHWENNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-3-11-10(15)12-9(14)6-13(2)8-4-5-18(16,17)7-8/h8H,3-7H2,1-2H3,(H2,11,12,14,15).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(ethylcarbamoyl)acetamide?
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(ethylcarbamoyl)acetamide has a molecular weight of 277.35 g/mol, XLogP of -1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 47109658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).