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

C10H18N4O2S2 — CID 55046458

IUPAC4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N4O2S2/c1-3-11-10-9(12-13-17-10)6-14(2)8-4-5-18(15,16)7-8/h8,11H,3-7H2,1-2H3
InChIKeyUTRWSIPBYBALJE-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.59
Rot. Bonds5

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

4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-ethylthiadiazol-5-amine (PubChem CID 55046458) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-ethylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-ethylthiadiazol-5-amine
PubChem CID55046458
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N4O2S2/c1-3-11-10-9(12-13-17-10)6-14(2)8-4-5-18(15,16)7-8/h8,11H,3-7H2,1-2H3
InChIKeyUTRWSIPBYBALJE-UHFFFAOYSA-N
XLogP0.59
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.59
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-ethylthiadiazol-5-amine?
The IUPAC name of 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-ethylthiadiazol-5-amine (CID 55046458) is 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-ethylthiadiazol-5-amine.
What is the SMILES notation for 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-ethylthiadiazol-5-amine?
The canonical SMILES for 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-ethylthiadiazol-5-amine is CCNc1snnc1CN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-ethylthiadiazol-5-amine?
The InChIKey is UTRWSIPBYBALJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c1-3-11-10-9(12-13-17-10)6-14(2)8-4-5-18(15,16)7-8/h8,11H,3-7H2,1-2H3.
What are the key properties of 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-ethylthiadiazol-5-amine?
4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-ethylthiadiazol-5-amine has a molecular weight of 290.41 g/mol, XLogP of 0.59, 5 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-ethylthiadiazol-5-amine is sourced from PubChem (CID 55046458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).