2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide

C8H17N5O3S — CID 106969077

IUPAC2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide
SMILESCCCNCc1nnc(NCCS(N)(=O)=O)o1
InChIInChI=1S/C8H17N5O3S/c1-2-3-10-6-7-12-13-8(16-7)11-4-5-17(9,14)15/h10H,2-6H2,1H3,(H,11,13)(H2,9,14,15)
InChIKeyKBIHQZUEKGGUPV-UHFFFAOYSA-N
MW263.32 g/mol
LogP-0.73
Rot. Bonds8

About 2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide

2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide (PubChem CID 106969077) has the molecular formula C8H17N5O3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide
PubChem CID106969077
Molecular FormulaC8H17N5O3S
Molecular Weight263.32 g/mol
Exact Mass263.11
IUPAC Name2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide
SMILESCCCNCc1nnc(NCCS(N)(=O)=O)o1
InChIInChI=1S/C8H17N5O3S/c1-2-3-10-6-7-12-13-8(16-7)11-4-5-17(9,14)15/h10H,2-6H2,1H3,(H,11,13)(H2,9,14,15)
InChIKeyKBIHQZUEKGGUPV-UHFFFAOYSA-N
XLogP-0.73
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106969613
N-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964337
5-[(2-methoxyethylamino)methyl]-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine
CID 106969617
3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide
CID 106098974
5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969563
N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968331
N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960948
5-(propylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961582
N-(3-cyclopentylpropyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106015746
N-(2-methoxyethyl)-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106964540
N-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide
CID 106969158
N-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960664

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide?
The IUPAC name of 2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide (CID 106969077) is 2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide is CCCNCc1nnc(NCCS(N)(=O)=O)o1.
What is the InChIKey of 2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide?
The InChIKey is KBIHQZUEKGGUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O3S/c1-2-3-10-6-7-12-13-8(16-7)11-4-5-17(9,14)15/h10H,2-6H2,1H3,(H,11,13)(H2,9,14,15).
What are the key properties of 2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide?
2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide has a molecular weight of 263.32 g/mol, XLogP of -0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide is sourced from PubChem (CID 106969077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).