2-[3-(triazol-1-yl)propylamino]ethanesulfonamide

C7H15N5O2S — CID 114385172

IUPAC2-[3-(triazol-1-yl)propylamino]ethanesulfonamide
SMILESNS(=O)(=O)CCNCCCn1ccnn1
InChIInChI=1S/C7H15N5O2S/c8-15(13,14)7-4-9-2-1-5-12-6-3-10-11-12/h3,6,9H,1-2,4-5,7H2,(H2,8,13,14)
InChIKeyRBGODVZYKFRDJZ-UHFFFAOYSA-N
MW233.30 g/mol
LogP-1.45
Rot. Bonds7

About 2-[3-(triazol-1-yl)propylamino]ethanesulfonamide

2-[3-(triazol-1-yl)propylamino]ethanesulfonamide (PubChem CID 114385172) has the molecular formula C7H15N5O2S and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-[3-(triazol-1-yl)propylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[3-(triazol-1-yl)propylamino]ethanesulfonamide
PubChem CID114385172
Molecular FormulaC7H15N5O2S
Molecular Weight233.30 g/mol
Exact Mass233.09
IUPAC Name2-[3-(triazol-1-yl)propylamino]ethanesulfonamide
SMILESNS(=O)(=O)CCNCCCn1ccnn1
InChIInChI=1S/C7H15N5O2S/c8-15(13,14)7-4-9-2-1-5-12-6-3-10-11-12/h3,6,9H,1-2,4-5,7H2,(H2,8,13,14)
InChIKeyRBGODVZYKFRDJZ-UHFFFAOYSA-N
XLogP-1.45
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 5-1.45
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-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide
CID 106076985
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
(2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol
CID 106932503
3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine
CID 103033575
3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide
CID 106077027
N-(3-methylbutan-2-yl)-2-[3-(triazol-1-yl)propylamino]acetamide
CID 113412705
2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine
CID 107442688
2-(triazol-1-yl)ethanesulfonyl chloride
CID 130116342
4-[[3-(triazol-1-yl)propylamino]methyl]benzene-1,2,3-triol
CID 107731008
4-(triazol-1-yl)butan-1-amine
CID 75355685
1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole
CID 106077211
4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide
CID 116816494

Frequently Asked Questions

What is the IUPAC name of 2-[3-(triazol-1-yl)propylamino]ethanesulfonamide?
The IUPAC name of 2-[3-(triazol-1-yl)propylamino]ethanesulfonamide (CID 114385172) is 2-[3-(triazol-1-yl)propylamino]ethanesulfonamide.
What is the SMILES notation for 2-[3-(triazol-1-yl)propylamino]ethanesulfonamide?
The canonical SMILES for 2-[3-(triazol-1-yl)propylamino]ethanesulfonamide is NS(=O)(=O)CCNCCCn1ccnn1.
What is the InChIKey of 2-[3-(triazol-1-yl)propylamino]ethanesulfonamide?
The InChIKey is RBGODVZYKFRDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O2S/c8-15(13,14)7-4-9-2-1-5-12-6-3-10-11-12/h3,6,9H,1-2,4-5,7H2,(H2,8,13,14).
What are the key properties of 2-[3-(triazol-1-yl)propylamino]ethanesulfonamide?
2-[3-(triazol-1-yl)propylamino]ethanesulfonamide has a molecular weight of 233.30 g/mol, XLogP of -1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(triazol-1-yl)propylamino]ethanesulfonamide is sourced from PubChem (CID 114385172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).