4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-methylthiadiazol-5-amine

C9H16N4O2S2 — CID 62182078

IUPAC4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H16N4O2S2/c1-10-9-8(11-12-16-9)5-13(2)7-3-4-17(14,15)6-7/h7,10H,3-6H2,1-2H3
InChIKeyCXEDVEKPJNNFBB-UHFFFAOYSA-N
MW276.39 g/mol
LogP0.20
Rot. Bonds4

About 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-methylthiadiazol-5-amine

4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-methylthiadiazol-5-amine (PubChem CID 62182078) has the molecular formula C9H16N4O2S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-methylthiadiazol-5-amine
PubChem CID62182078
Molecular FormulaC9H16N4O2S2
Molecular Weight276.39 g/mol
Exact Mass276.07
IUPAC Name4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H16N4O2S2/c1-10-9-8(11-12-16-9)5-13(2)7-3-4-17(14,15)6-7/h7,10H,3-6H2,1-2H3
InChIKeyCXEDVEKPJNNFBB-UHFFFAOYSA-N
XLogP0.20
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-methylthiadiazol-5-amine (CID 62182078) is 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-methylthiadiazol-5-amine is CNc1snnc1CN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-methylthiadiazol-5-amine?
The InChIKey is CXEDVEKPJNNFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S2/c1-10-9-8(11-12-16-9)5-13(2)7-3-4-17(14,15)6-7/h7,10H,3-6H2,1-2H3.
What are the key properties of 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-methylthiadiazol-5-amine?
4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-methylthiadiazol-5-amine has a molecular weight of 276.39 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62182078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).