3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide

C8H16N4O3S — CID 106415621

IUPAC3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)CCCN)no1
InChIInChI=1S/C8H16N4O3S/c1-7-11-8(12-15-7)3-5-10-16(13,14)6-2-4-9/h10H,2-6,9H2,1H3
InChIKeyQHZGPLAYLWCLNJ-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.81
Rot. Bonds7

About 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide

3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide (PubChem CID 106415621) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide
PubChem CID106415621
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC Name3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)CCCN)no1
InChIInChI=1S/C8H16N4O3S/c1-7-11-8(12-15-7)3-5-10-16(13,14)6-2-4-9/h10H,2-6,9H2,1H3
InChIKeyQHZGPLAYLWCLNJ-UHFFFAOYSA-N
XLogP-0.81
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid
CID 114185894
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106423667
4-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
CID 114185417
5-(2-aminoethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106419898
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide
CID 106406470
4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 83872807
1-(4-aminophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]methanesulfonamide
CID 106413641
1-[3-(aminomethyl)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]methanesulfonamide
CID 106423664
4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
CID 106410697
5-amino-2-fluoro-4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413667
3-amino-2,4-difluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413593
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 104859220

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide (CID 106415621) is 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide is Cc1nc(CCNS(=O)(=O)CCCN)no1.
What is the InChIKey of 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide?
The InChIKey is QHZGPLAYLWCLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c1-7-11-8(12-15-7)3-5-10-16(13,14)6-2-4-9/h10H,2-6,9H2,1H3.
What are the key properties of 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide?
3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide has a molecular weight of 248.31 g/mol, XLogP of -0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 106415621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).