1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole

C11H24N6O2S — CID 106077211

IUPAC1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole
SMILESCCCNCCCN(C)S(=O)(=O)NCCn1ccnn1
InChIInChI=1S/C11H24N6O2S/c1-3-5-12-6-4-9-16(2)20(18,19)14-8-11-17-10-7-13-15-17/h7,10,12,14H,3-6,8-9,11H2,1-2H3
InChIKeyRSCCBOZDBVRVON-UHFFFAOYSA-N
MW304.42 g/mol
LogP-0.57
Rot. Bonds11

About 1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole

1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole (PubChem CID 106077211) has the molecular formula C11H24N6O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole.

Molecular Properties

Compound Name1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole
PubChem CID106077211
Molecular FormulaC11H24N6O2S
Molecular Weight304.42 g/mol
Exact Mass304.17
IUPAC Name1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole
SMILESCCCNCCCN(C)S(=O)(=O)NCCn1ccnn1
InChIInChI=1S/C11H24N6O2S/c1-3-5-12-6-4-9-16(2)20(18,19)14-8-11-17-10-7-13-15-17/h7,10,12,14H,3-6,8-9,11H2,1-2H3
InChIKeyRSCCBOZDBVRVON-UHFFFAOYSA-N
XLogP-0.57
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 5-0.57
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-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole
CID 106077012
3-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide
CID 106076985
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]imidazole
CID 106018170
2-[3-(triazol-1-yl)propylamino]ethanesulfonamide
CID 114385172
2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane
CID 106086751
N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide
CID 43601596
2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
CID 106082471
4-methylsulfanyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine
CID 103088367
2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole
CID 106085278
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine
CID 106075281
4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide
CID 116816494

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole?
The IUPAC name of 1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole (CID 106077211) is 1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole.
What is the SMILES notation for 1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole?
The canonical SMILES for 1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole is CCCNCCCN(C)S(=O)(=O)NCCn1ccnn1.
What is the InChIKey of 1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole?
The InChIKey is RSCCBOZDBVRVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N6O2S/c1-3-5-12-6-4-9-16(2)20(18,19)14-8-11-17-10-7-13-15-17/h7,10,12,14H,3-6,8-9,11H2,1-2H3.
What are the key properties of 1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole?
1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole has a molecular weight of 304.42 g/mol, XLogP of -0.57, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole is sourced from PubChem (CID 106077211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).