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

C7H14N4O2S — CID 47372429

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)c1nncn1C
InChIInChI=1S/C7H14N4O2S/c1-4-14(12,13)10-6(2)7-9-8-5-11(7)3/h5-6,10H,4H2,1-3H3
InChIKeyZTYYZXXNVFLPAG-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.18
Rot. Bonds4

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

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide (PubChem CID 47372429) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
PubChem CID47372429
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)c1nncn1C
InChIInChI=1S/C7H14N4O2S/c1-4-14(12,13)10-6(2)7-9-8-5-11(7)3/h5-6,10H,4H2,1-3H3
InChIKeyZTYYZXXNVFLPAG-UHFFFAOYSA-N
XLogP-0.18
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide (CID 47372429) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NC(C)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide?
The InChIKey is ZTYYZXXNVFLPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-4-14(12,13)10-6(2)7-9-8-5-11(7)3/h5-6,10H,4H2,1-3H3.
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 47372429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).