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

C9H20N6O2S — CID 106077188

IUPAC1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole
SMILESCNCCCN(C)S(=O)(=O)NCCn1ccnn1
InChIInChI=1S/C9H20N6O2S/c1-10-4-3-7-14(2)18(16,17)12-6-9-15-8-5-11-13-15/h5,8,10,12H,3-4,6-7,9H2,1-2H3
InChIKeyKDTDBZFHBRVZDY-UHFFFAOYSA-N
MW276.37 g/mol
LogP-1.35
Rot. Bonds9

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

1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole (PubChem CID 106077188) has the molecular formula C9H20N6O2S and a molecular weight of 276.37 g/mol. Its IUPAC name is 1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole.

Molecular Properties

Compound Name1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole
PubChem CID106077188
Molecular FormulaC9H20N6O2S
Molecular Weight276.37 g/mol
Exact Mass276.14
IUPAC Name1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole
SMILESCNCCCN(C)S(=O)(=O)NCCn1ccnn1
InChIInChI=1S/C9H20N6O2S/c1-10-4-3-7-14(2)18(16,17)12-6-9-15-8-5-11-13-15/h5,8,10,12H,3-4,6-7,9H2,1-2H3
InChIKeyKDTDBZFHBRVZDY-UHFFFAOYSA-N
XLogP-1.35
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 5-1.35
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-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole
CID 106077211
1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole
CID 106077012
3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide
CID 106077027
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 106058175
1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane
CID 106041029
4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 114137543
4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine
CID 106327431
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]imidazole
CID 106018170
4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide
CID 116816494
1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine
CID 106082659
2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane
CID 106094290
5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 106077162

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole?
The IUPAC name of 1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole (CID 106077188) is 1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole.
What is the SMILES notation for 1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole?
The canonical SMILES for 1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole is CNCCCN(C)S(=O)(=O)NCCn1ccnn1.
What is the InChIKey of 1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole?
The InChIKey is KDTDBZFHBRVZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N6O2S/c1-10-4-3-7-14(2)18(16,17)12-6-9-15-8-5-11-13-15/h5,8,10,12H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole?
1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole has a molecular weight of 276.37 g/mol, XLogP of -1.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole is sourced from PubChem (CID 106077188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).