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

C8H17N5O3S — CID 106343666

IUPAC2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylethanesulfonamide
SMILESCC(N)c1nnc(NCCS(=O)(=O)N(C)C)o1
InChIInChI=1S/C8H17N5O3S/c1-6(9)7-11-12-8(16-7)10-4-5-17(14,15)13(2)3/h6H,4-5,9H2,1-3H3,(H,10,12)
InChIKeyXFDPDYWVRMLSLL-UHFFFAOYSA-N
MW263.32 g/mol
LogP-0.61
Rot. Bonds6

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

2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylethanesulfonamide (PubChem CID 106343666) has the molecular formula C8H17N5O3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylethanesulfonamide
PubChem CID106343666
Molecular FormulaC8H17N5O3S
Molecular Weight263.32 g/mol
Exact Mass263.11
IUPAC Name2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylethanesulfonamide
SMILESCC(N)c1nnc(NCCS(=O)(=O)N(C)C)o1
InChIInChI=1S/C8H17N5O3S/c1-6(9)7-11-12-8(16-7)10-4-5-17(14,15)13(2)3/h6H,4-5,9H2,1-3H3,(H,10,12)
InChIKeyXFDPDYWVRMLSLL-UHFFFAOYSA-N
XLogP-0.61
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylethanesulfonamide (CID 106343666) is 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylethanesulfonamide is CC(N)c1nnc(NCCS(=O)(=O)N(C)C)o1.
What is the InChIKey of 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylethanesulfonamide?
The InChIKey is XFDPDYWVRMLSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O3S/c1-6(9)7-11-12-8(16-7)10-4-5-17(14,15)13(2)3/h6H,4-5,9H2,1-3H3,(H,10,12).
What are the key properties of 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylethanesulfonamide?
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylethanesulfonamide has a molecular weight of 263.32 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106343666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).