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

C9H18N4O3S — CID 106423734

IUPAC3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)NCCc1nc(C)no1
InChIInChI=1S/C9H18N4O3S/c1-8-12-9(16-13-8)4-6-11-17(14,15)7-3-5-10-2/h10-11H,3-7H2,1-2H3
InChIKeyIUZXHLPDOCIOJC-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.55
Rot. Bonds8

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

3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1-sulfonamide (PubChem CID 106423734) has the molecular formula C9H18N4O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1-sulfonamide
PubChem CID106423734
Molecular FormulaC9H18N4O3S
Molecular Weight262.33 g/mol
Exact Mass262.11
IUPAC Name3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)NCCc1nc(C)no1
InChIInChI=1S/C9H18N4O3S/c1-8-12-9(16-13-8)4-6-11-17(14,15)7-3-5-10-2/h10-11H,3-7H2,1-2H3
InChIKeyIUZXHLPDOCIOJC-UHFFFAOYSA-N
XLogP-0.55
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416348
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)propane-1-sulfonamide
CID 79238152
4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106419948
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
4-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
CID 114185417
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 106419937
2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61013517
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5-oxaspiro[3.5]nonan-6-yl)methanesulfonamide
CID 146149476
2,4,6-trichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 47087293
3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole
CID 106423755
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 113228525
3-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 106073563

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1-sulfonamide (CID 106423734) is 3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1-sulfonamide is CNCCCS(=O)(=O)NCCc1nc(C)no1.
What is the InChIKey of 3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1-sulfonamide?
The InChIKey is IUZXHLPDOCIOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3S/c1-8-12-9(16-13-8)4-6-11-17(14,15)7-3-5-10-2/h10-11H,3-7H2,1-2H3.
What are the key properties of 3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1-sulfonamide?
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1-sulfonamide has a molecular weight of 262.33 g/mol, XLogP of -0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 106423734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).