4-amino-N-propylsulfonyl-1,2,5-oxadiazole-3-carboxamide

C6H10N4O4S — CID 103307329

IUPAC4-amino-N-propylsulfonyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCCS(=O)(=O)NC(=O)c1nonc1N
InChIInChI=1S/C6H10N4O4S/c1-2-3-15(12,13)10-6(11)4-5(7)9-14-8-4/h2-3H2,1H3,(H2,7,9)(H,10,11)
InChIKeyYLPDZMRIHRDVOA-UHFFFAOYSA-N
MW234.24 g/mol
LogP-0.88
Rot. Bonds4

About 4-amino-N-propylsulfonyl-1,2,5-oxadiazole-3-carboxamide

4-amino-N-propylsulfonyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 103307329) has the molecular formula C6H10N4O4S and a molecular weight of 234.24 g/mol. Its IUPAC name is 4-amino-N-propylsulfonyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-propylsulfonyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID103307329
Molecular FormulaC6H10N4O4S
Molecular Weight234.24 g/mol
Exact Mass234.04
IUPAC Name4-amino-N-propylsulfonyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCCS(=O)(=O)NC(=O)c1nonc1N
InChIInChI=1S/C6H10N4O4S/c1-2-3-15(12,13)10-6(11)4-5(7)9-14-8-4/h2-3H2,1H3,(H2,7,9)(H,10,11)
InChIKeyYLPDZMRIHRDVOA-UHFFFAOYSA-N
XLogP-0.88
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propylsulfonyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-propylsulfonyl-1,2,5-oxadiazole-3-carboxamide (CID 103307329) is 4-amino-N-propylsulfonyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-propylsulfonyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-propylsulfonyl-1,2,5-oxadiazole-3-carboxamide is CCCS(=O)(=O)NC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-propylsulfonyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is YLPDZMRIHRDVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O4S/c1-2-3-15(12,13)10-6(11)4-5(7)9-14-8-4/h2-3H2,1H3,(H2,7,9)(H,10,11).
What are the key properties of 4-amino-N-propylsulfonyl-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-propylsulfonyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 234.24 g/mol, XLogP of -0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propylsulfonyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 103307329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).