N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide

C8H16N4O2S — CID 64587074

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1nncn1C
InChIInChI=1S/C8H16N4O2S/c1-3-6-15(13,14)10-5-4-8-11-9-7-12(8)2/h7,10H,3-6H2,1-2H3
InChIKeyRUHVYIXKQIOPFH-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.31
Rot. Bonds6

About N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide (PubChem CID 64587074) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
PubChem CID64587074
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1nncn1C
InChIInChI=1S/C8H16N4O2S/c1-3-6-15(13,14)10-5-4-8-11-9-7-12(8)2/h7,10H,3-6H2,1-2H3
InChIKeyRUHVYIXKQIOPFH-UHFFFAOYSA-N
XLogP-0.31
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylamino)butane-1-sulfonamide
CID 106064153
1-[4-(aminomethyl)phenyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
CID 63330283
N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide
CID 62038834
3-ethylsulfonyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 65092737
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanesulfonamide
CID 114385025
3-amino-4-ethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63332758
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
CID 55201911
4-amino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63332267
3-amino-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63332490
N-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
CID 63330321
3-bromo-4-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 106612272
4-(cyanomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 79203532

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide (CID 64587074) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCc1nncn1C.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide?
The InChIKey is RUHVYIXKQIOPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-3-6-15(13,14)10-5-4-8-11-9-7-12(8)2/h7,10H,3-6H2,1-2H3.
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of -0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 64587074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).