2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide

C8H17N5O3S — CID 114176109

IUPAC2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nnc(CCN)o1
InChIInChI=1S/C8H17N5O3S/c1-2-11-17(14,15)6-5-10-8-13-12-7(16-8)3-4-9/h11H,2-6,9H2,1H3,(H,10,13)
InChIKeyRRBGKUZIRAJLGI-UHFFFAOYSA-N
MW263.32 g/mol
LogP-1.08
Rot. Bonds8

About 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide

2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide (PubChem CID 114176109) has the molecular formula C8H17N5O3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide
PubChem CID114176109
Molecular FormulaC8H17N5O3S
Molecular Weight263.32 g/mol
Exact Mass263.11
IUPAC Name2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nnc(CCN)o1
InChIInChI=1S/C8H17N5O3S/c1-2-11-17(14,15)6-5-10-8-13-12-7(16-8)3-4-9/h11H,2-6,9H2,1H3,(H,10,13)
InChIKeyRRBGKUZIRAJLGI-UHFFFAOYSA-N
XLogP-1.08
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 ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-aminoethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106425031
N-[3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]propyl]methanesulfonamide
CID 106332569
2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide
CID 106969077
5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959660
N-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide
CID 106956708
5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959682
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide
CID 104924254
N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106969613
5-(2-aminoethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961342
5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819587
5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine
CID 106956296
N-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide
CID 106338122

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide (CID 114176109) is 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1nnc(CCN)o1.
What is the InChIKey of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide?
The InChIKey is RRBGKUZIRAJLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O3S/c1-2-11-17(14,15)6-5-10-8-13-12-7(16-8)3-4-9/h11H,2-6,9H2,1H3,(H,10,13).
What are the key properties of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide?
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide has a molecular weight of 263.32 g/mol, XLogP of -1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 114176109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).