N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide

C7H11N3O4S — CID 60694060

IUPACN-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
SMILESNC(=O)NC(=O)CNC1C=CS(=O)(=O)C1
InChIInChI=1S/C7H11N3O4S/c8-7(12)10-6(11)3-9-5-1-2-15(13,14)4-5/h1-2,5,9H,3-4H2,(H3,8,10,11,12)
InChIKeyWFNMJOKKMUUDCR-UHFFFAOYSA-N
MW233.25 g/mol
LogP-1.92
Rot. Bonds3

About N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide

N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide (PubChem CID 60694060) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
PubChem CID60694060
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC NameN-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
SMILESNC(=O)NC(=O)CNC1C=CS(=O)(=O)C1
InChIInChI=1S/C7H11N3O4S/c8-7(12)10-6(11)3-9-5-1-2-15(13,14)4-5/h1-2,5,9H,3-4H2,(H3,8,10,11,12)
InChIKeyWFNMJOKKMUUDCR-UHFFFAOYSA-N
XLogP-1.92
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide?
The IUPAC name of N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide (CID 60694060) is N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide?
The canonical SMILES for N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide is NC(=O)NC(=O)CNC1C=CS(=O)(=O)C1.
What is the InChIKey of N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide?
The InChIKey is WFNMJOKKMUUDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c8-7(12)10-6(11)3-9-5-1-2-15(13,14)4-5/h1-2,5,9H,3-4H2,(H3,8,10,11,12).
What are the key properties of N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide?
N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide has a molecular weight of 233.25 g/mol, XLogP of -1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide is sourced from PubChem (CID 60694060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).