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

C11H20N4O2S2 — CID 62182251

IUPAC4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N4O2S2/c1-3-5-12-11-10(13-14-18-11)7-15(2)9-4-6-19(16,17)8-9/h9,12H,3-8H2,1-2H3
InChIKeyHRMIPXMLNIJSTH-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.98
Rot. Bonds6

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

4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 62182251) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-propylthiadiazol-5-amine
PubChem CID62182251
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC Name4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N4O2S2/c1-3-5-12-11-10(13-14-18-11)7-15(2)9-4-6-19(16,17)8-9/h9,12H,3-8H2,1-2H3
InChIKeyHRMIPXMLNIJSTH-UHFFFAOYSA-N
XLogP0.98
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.98
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-propylthiadiazol-5-amine?
The IUPAC name of 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-propylthiadiazol-5-amine (CID 62182251) is 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is HRMIPXMLNIJSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-3-5-12-11-10(13-14-18-11)7-15(2)9-4-6-19(16,17)8-9/h9,12H,3-8H2,1-2H3.
What are the key properties of 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-propylthiadiazol-5-amine?
4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 304.44 g/mol, XLogP of 0.98, 6 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-propylthiadiazol-5-amine is sourced from PubChem (CID 62182251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).