3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]propane-1-sulfonamide

C5H11N5O3S — CID 103436758

IUPAC3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]propane-1-sulfonamide
SMILESNc1nnc(NCCCS(N)(=O)=O)o1
InChIInChI=1S/C5H11N5O3S/c6-4-9-10-5(13-4)8-2-1-3-14(7,11)12/h1-3H2,(H2,6,9)(H,8,10)(H2,7,11,12)
InChIKeyRJMLRODTGSFDJU-UHFFFAOYSA-N
MW221.24 g/mol
LogP-1.26
Rot. Bonds5

About 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]propane-1-sulfonamide

3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]propane-1-sulfonamide (PubChem CID 103436758) has the molecular formula C5H11N5O3S and a molecular weight of 221.24 g/mol. Its IUPAC name is 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]propane-1-sulfonamide
PubChem CID103436758
Molecular FormulaC5H11N5O3S
Molecular Weight221.24 g/mol
Exact Mass221.06
IUPAC Name3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]propane-1-sulfonamide
SMILESNc1nnc(NCCCS(N)(=O)=O)o1
InChIInChI=1S/C5H11N5O3S/c6-4-9-10-5(13-4)8-2-1-3-14(7,11)12/h1-3H2,(H2,6,9)(H,8,10)(H2,7,11,12)
InChIKeyRJMLRODTGSFDJU-UHFFFAOYSA-N
XLogP-1.26
TPSA137.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]propane-1-sulfonamide (CID 103436758) is 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]propane-1-sulfonamide is Nc1nnc(NCCCS(N)(=O)=O)o1.
What is the InChIKey of 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]propane-1-sulfonamide?
The InChIKey is RJMLRODTGSFDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O3S/c6-4-9-10-5(13-4)8-2-1-3-14(7,11)12/h1-3H2,(H2,6,9)(H,8,10)(H2,7,11,12).
What are the key properties of 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]propane-1-sulfonamide?
3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]propane-1-sulfonamide has a molecular weight of 221.24 g/mol, XLogP of -1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 103436758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).