N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride

C7H15ClN2O3S — CID 42913513

IUPACN-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NC1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C7H14N2O3S.ClH/c1-8-4-7(10)9-6-2-3-13(11,12)5-6;/h6,8H,2-5H2,1H3,(H,9,10);1H
InChIKeyNPGYQYGJZBDLOZ-UHFFFAOYSA-N
MW242.73 g/mol
LogP-1.07
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride

N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride (PubChem CID 42913513) has the molecular formula C7H15ClN2O3S and a molecular weight of 242.73 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride
PubChem CID42913513
Molecular FormulaC7H15ClN2O3S
Molecular Weight242.73 g/mol
Exact Mass242.05
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NC1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C7H14N2O3S.ClH/c1-8-4-7(10)9-6-2-3-13(11,12)5-6;/h6,8H,2-5H2,1H3,(H,9,10);1H
InChIKeyNPGYQYGJZBDLOZ-UHFFFAOYSA-N
XLogP-1.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride (CID 42913513) is N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NC1CCS(=O)(=O)C1.Cl.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride?
The InChIKey is NPGYQYGJZBDLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S.ClH/c1-8-4-7(10)9-6-2-3-13(11,12)5-6;/h6,8H,2-5H2,1H3,(H,9,10);1H.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride?
N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride has a molecular weight of 242.73 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 42913513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).