5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole

C9H19N5O2S — CID 122562994

IUPAC5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole
SMILESCCCn1ncnc1C(C)NS(=O)(=O)N(C)C
InChIInChI=1S/C9H19N5O2S/c1-5-6-14-9(10-7-11-14)8(2)12-17(15,16)13(3)4/h7-8,12H,5-6H2,1-4H3
InChIKeyLGNXCTHSJHPDGT-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.15
Rot. Bonds6

About 5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole

5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole (PubChem CID 122562994) has the molecular formula C9H19N5O2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole
PubChem CID122562994
Molecular FormulaC9H19N5O2S
Molecular Weight261.35 g/mol
Exact Mass261.13
IUPAC Name5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole
SMILESCCCn1ncnc1C(C)NS(=O)(=O)N(C)C
InChIInChI=1S/C9H19N5O2S/c1-5-6-14-9(10-7-11-14)8(2)12-17(15,16)13(3)4/h7-8,12H,5-6H2,1-4H3
InChIKeyLGNXCTHSJHPDGT-UHFFFAOYSA-N
XLogP0.15
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1R)-1-(dimethylsulfamoylamino)propyl]-1-ethyl-1,2,4-triazole
CID 125442226
2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122570467
1-methyl-5-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,4-triazole
CID 131929499
1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 119065761
4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 122563851
N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 125439874
N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 125439875
N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 125446457
3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
CID 125175780
2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122567315
N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 112744550
4-[4-(dimethylamino)phenyl]-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 163318444

Frequently Asked Questions

What is the IUPAC name of 5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole?
The IUPAC name of 5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole (CID 122562994) is 5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole.
What is the SMILES notation for 5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole?
The canonical SMILES for 5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole is CCCn1ncnc1C(C)NS(=O)(=O)N(C)C.
What is the InChIKey of 5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole?
The InChIKey is LGNXCTHSJHPDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2S/c1-5-6-14-9(10-7-11-14)8(2)12-17(15,16)13(3)4/h7-8,12H,5-6H2,1-4H3.
What are the key properties of 5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole?
5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole has a molecular weight of 261.35 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole is sourced from PubChem (CID 122562994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).