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

C9H19N5O2S — CID 106077027

IUPAC3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)NCCCn1ccnn1
InChIInChI=1S/C9H19N5O2S/c1-10-4-3-9-17(15,16)12-5-2-7-14-8-6-11-13-14/h6,8,10,12H,2-5,7,9H2,1H3
InChIKeyLESZMTIJRVOLLF-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.80
Rot. Bonds9

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

3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide (PubChem CID 106077027) has the molecular formula C9H19N5O2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide
PubChem CID106077027
Molecular FormulaC9H19N5O2S
Molecular Weight261.35 g/mol
Exact Mass261.13
IUPAC Name3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)NCCCn1ccnn1
InChIInChI=1S/C9H19N5O2S/c1-10-4-3-9-17(15,16)12-5-2-7-14-8-6-11-13-14/h6,8,10,12H,2-5,7,9H2,1H3
InChIKeyLESZMTIJRVOLLF-UHFFFAOYSA-N
XLogP-0.80
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.80
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
4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide
CID 116816494
1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole
CID 106077188
N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide
CID 106054419
2-[3-(triazol-1-yl)propylamino]ethanesulfonamide
CID 114385172
4-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-5-sulfonamide
CID 106077016
N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide
CID 112686403
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
5-methyl-3-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-4-sulfonamide
CID 106076996
1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole
CID 106077012
3-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 106073563
5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 106077162

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide?
The IUPAC name of 3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide (CID 106077027) is 3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide?
The canonical SMILES for 3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide is CNCCCS(=O)(=O)NCCCn1ccnn1.
What is the InChIKey of 3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide?
The InChIKey is LESZMTIJRVOLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2S/c1-10-4-3-9-17(15,16)12-5-2-7-14-8-6-11-13-14/h6,8,10,12H,2-5,7,9H2,1H3.
What are the key properties of 3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide?
3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of -0.80, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide is sourced from PubChem (CID 106077027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).