3-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide

C11H23N5O2S — CID 106076985

IUPAC3-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide
SMILESCCCNCCCS(=O)(=O)NCCCn1ccnn1
InChIInChI=1S/C11H23N5O2S/c1-2-5-12-6-4-11-19(17,18)14-7-3-9-16-10-8-13-15-16/h8,10,12,14H,2-7,9,11H2,1H3
InChIKeyQPMNQAMQINMGKR-UHFFFAOYSA-N
MW289.40 g/mol
LogP-0.02
Rot. Bonds11

About 3-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide

3-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide (PubChem CID 106076985) has the molecular formula C11H23N5O2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide
PubChem CID106076985
Molecular FormulaC11H23N5O2S
Molecular Weight289.40 g/mol
Exact Mass289.16
IUPAC Name3-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide
SMILESCCCNCCCS(=O)(=O)NCCCn1ccnn1
InChIInChI=1S/C11H23N5O2S/c1-2-5-12-6-4-11-19(17,18)14-7-3-9-16-10-8-13-15-16/h8,10,12,14H,2-7,9,11H2,1H3
InChIKeyQPMNQAMQINMGKR-UHFFFAOYSA-N
XLogP-0.02
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.02
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-[3-(triazol-1-yl)propyl]propane-1-sulfonamide
CID 106077027
1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole
CID 106077211
2-[3-(triazol-1-yl)propylamino]ethanesulfonamide
CID 114385172
4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide
CID 116816494
N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide
CID 112686403
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylamino)butane-1-sulfonamide
CID 106064153
N-[2-(propylamino)ethyl]butane-1-sulfonamide
CID 62663882
(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
N-[2-(diethylamino)ethyl]-3-(propylamino)propane-1-sulfonamide
CID 114139014
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
N-(3-methylbutan-2-yl)-2-[3-(triazol-1-yl)propylamino]acetamide
CID 113412705

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide?
The IUPAC name of 3-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide (CID 106076985) is 3-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide?
The canonical SMILES for 3-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide is CCCNCCCS(=O)(=O)NCCCn1ccnn1.
What is the InChIKey of 3-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide?
The InChIKey is QPMNQAMQINMGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O2S/c1-2-5-12-6-4-11-19(17,18)14-7-3-9-16-10-8-13-15-16/h8,10,12,14H,2-7,9,11H2,1H3.
What are the key properties of 3-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide?
3-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of -0.02, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide is sourced from PubChem (CID 106076985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).