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

C8H16N4O2S — CID 164639361

IUPACN-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
SMILESCCn1cnnc1[C@H](C)NS(=O)(=O)CC
InChIInChI=1S/C8H16N4O2S/c1-4-12-6-9-10-8(12)7(3)11-15(13,14)5-2/h6-7,11H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyZSUGFGMWMZUIHA-ZETCQYMHSA-N
MW232.31 g/mol
LogP0.30
Rot. Bonds5

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

N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide (PubChem CID 164639361) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
PubChem CID164639361
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
SMILESCCn1cnnc1[C@H](C)NS(=O)(=O)CC
InChIInChI=1S/C8H16N4O2S/c1-4-12-6-9-10-8(12)7(3)11-15(13,14)5-2/h6-7,11H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyZSUGFGMWMZUIHA-ZETCQYMHSA-N
XLogP0.30
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpentane-1-sulfonamide
CID 75484912
N-{1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl}methanesulfonamide
CID 77093819
N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]butane-1-sulfonamide
CID 95323158
1-cyclopentyl-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]methanesulfonamide
CID 125435593
N-methyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide
CID 129617380
2,3,3-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide
CID 136557765
5-[(1S)-1-(diethylsulfamoylamino)ethyl]-1-methyl-1,2,4-triazole
CID 164632572
N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 164639266
4,4,4-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butane-1-sulfonamide
CID 103943299
N-[[4-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-1,2,4-triazol-3-yl]methyl]ethanesulfonamide
CID 167785768
N-[(1R)-1-(4-ethyl-5-methoxy-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide
CID 57698859
N-[(1R)-1-(4-ethyl-5-methoxy-1,2,4-triazol-3-yl)ethyl]octane-1-sulfonamide
CID 57699162

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide (CID 164639361) is N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide is CCn1cnnc1[C@H](C)NS(=O)(=O)CC.
What is the InChIKey of N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide?
The InChIKey is ZSUGFGMWMZUIHA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-4-12-6-9-10-8(12)7(3)11-15(13,14)5-2/h6-7,11H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide?
N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide has a molecular weight of 232.31 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 164639361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).