1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole

C12H26N6O2S — CID 106077012

IUPAC1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole
SMILESCC(C)NCCCN(C)S(=O)(=O)NCCCn1ccnn1
InChIInChI=1S/C12H26N6O2S/c1-12(2)13-6-4-9-17(3)21(19,20)15-7-5-10-18-11-8-14-16-18/h8,11-13,15H,4-7,9-10H2,1-3H3
InChIKeyLSYITMNTEFMABA-UHFFFAOYSA-N
MW318.45 g/mol
LogP-0.18
Rot. Bonds11

About 1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole

1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole (PubChem CID 106077012) has the molecular formula C12H26N6O2S and a molecular weight of 318.45 g/mol. Its IUPAC name is 1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole.

Molecular Properties

Compound Name1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole
PubChem CID106077012
Molecular FormulaC12H26N6O2S
Molecular Weight318.45 g/mol
Exact Mass318.18
IUPAC Name1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole
SMILESCC(C)NCCCN(C)S(=O)(=O)NCCCn1ccnn1
InChIInChI=1S/C12H26N6O2S/c1-12(2)13-6-4-9-17(3)21(19,20)15-7-5-10-18-11-8-14-16-18/h8,11-13,15H,4-7,9-10H2,1-3H3
InChIKeyLSYITMNTEFMABA-UHFFFAOYSA-N
XLogP-0.18
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 5-0.18
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

1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole
CID 106077188
1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole
CID 106077211
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene
CID 106060187
2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane
CID 106085328
2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine
CID 113412535
3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide
CID 106077027
2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]-2-methylsulfanylpropane
CID 106080844
3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole
CID 106423755
2-ethoxy-2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propane
CID 106086729
(2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol
CID 106932503
2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene
CID 106094609

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole?
The IUPAC name of 1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole (CID 106077012) is 1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole.
What is the SMILES notation for 1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole?
The canonical SMILES for 1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole is CC(C)NCCCN(C)S(=O)(=O)NCCCn1ccnn1.
What is the InChIKey of 1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole?
The InChIKey is LSYITMNTEFMABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N6O2S/c1-12(2)13-6-4-9-17(3)21(19,20)15-7-5-10-18-11-8-14-16-18/h8,11-13,15H,4-7,9-10H2,1-3H3.
What are the key properties of 1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole?
1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole has a molecular weight of 318.45 g/mol, XLogP of -0.18, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole is sourced from PubChem (CID 106077012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).