2-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine

C6H12N4O3S — CID 103436768

IUPAC2-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCS(=O)(=O)CCCNc1nnc(N)o1
InChIInChI=1S/C6H12N4O3S/c1-14(11,12)4-2-3-8-6-10-9-5(7)13-6/h2-4H2,1H3,(H2,7,9)(H,8,10)
InChIKeyRSRPBTAZHQJXMJ-UHFFFAOYSA-N
MW220.25 g/mol
LogP-0.50
Rot. Bonds5

About 2-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine

2-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436768) has the molecular formula C6H12N4O3S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436768
Molecular FormulaC6H12N4O3S
Molecular Weight220.25 g/mol
Exact Mass220.06
IUPAC Name2-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCS(=O)(=O)CCCNc1nnc(N)o1
InChIInChI=1S/C6H12N4O3S/c1-14(11,12)4-2-3-8-6-10-9-5(7)13-6/h2-4H2,1H3,(H2,7,9)(H,8,10)
InChIKeyRSRPBTAZHQJXMJ-UHFFFAOYSA-N
XLogP-0.50
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine (CID 103436768) is 2-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine is CS(=O)(=O)CCCNc1nnc(N)o1.
What is the InChIKey of 2-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is RSRPBTAZHQJXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O3S/c1-14(11,12)4-2-3-8-6-10-9-5(7)13-6/h2-4H2,1H3,(H2,7,9)(H,8,10).
What are the key properties of 2-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 220.25 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).