5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine

C10H20N4O3S — CID 106970385

IUPAC5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(NCCCS(C)(=O)=O)o1
InChIInChI=1S/C10H20N4O3S/c1-4-11-8(2)9-13-14-10(17-9)12-6-5-7-18(3,15)16/h8,11H,4-7H2,1-3H3,(H,12,14)
InChIKeyBANIBKCLDHTWTN-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.59
Rot. Bonds8

About 5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine

5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106970385) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106970385
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC Name5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(NCCCS(C)(=O)=O)o1
InChIInChI=1S/C10H20N4O3S/c1-4-11-8(2)9-13-14-10(17-9)12-6-5-7-18(3,15)16/h8,11H,4-7H2,1-3H3,(H,12,14)
InChIKeyBANIBKCLDHTWTN-UHFFFAOYSA-N
XLogP0.59
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine 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

5-[1-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970380
5-[1-(ethylamino)ethyl]-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 107819579
5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969532
N-methyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide
CID 106332579
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl carbamate
CID 106964003
3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea
CID 106964060
3-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 114167811
5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961976
N,N-diethyl-2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106964475
N-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964952
5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
CID 106961131
5-[1-(propylamino)ethyl]-N-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106964046

Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine (CID 106970385) is 5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine is CCNC(C)c1nnc(NCCCS(C)(=O)=O)o1.
What is the InChIKey of 5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is BANIBKCLDHTWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-4-11-8(2)9-13-14-10(17-9)12-6-5-7-18(3,15)16/h8,11H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine?
5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 276.36 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).