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

C7H14N2O3S — CID 24690088

IUPACN-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C7H14N2O3S/c1-8-4-7(10)9-6-2-3-13(11,12)5-6/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeySZJSMBPLUWLLPN-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.49
Rot. Bonds3

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

N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide (PubChem CID 24690088) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide
PubChem CID24690088
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C7H14N2O3S/c1-8-4-7(10)9-6-2-3-13(11,12)5-6/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeySZJSMBPLUWLLPN-UHFFFAOYSA-N
XLogP-1.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.49
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?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide (CID 24690088) is N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide is CNCC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide?
The InChIKey is SZJSMBPLUWLLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-8-4-7(10)9-6-2-3-13(11,12)5-6/h6,8H,2-5H2,1H3,(H,9,10).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide has a molecular weight of 206.27 g/mol, XLogP of -1.49, 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 is sourced from PubChem (CID 24690088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).