4-(2-methoxyethyl)-5-(2-methyloxolan-3-yl)-1,2,4-triazole-3-sulfonamide

C10H18N4O4S — CID 113366276

IUPAC4-(2-methoxyethyl)-5-(2-methyloxolan-3-yl)-1,2,4-triazole-3-sulfonamide
SMILESCOCCn1c(C2CCOC2C)nnc1S(N)(=O)=O
InChIInChI=1S/C10H18N4O4S/c1-7-8(3-5-18-7)9-12-13-10(19(11,15)16)14(9)4-6-17-2/h7-8H,3-6H2,1-2H3,(H2,11,15,16)
InChIKeyGVVXYVWIRHAXRJ-UHFFFAOYSA-N
MW290.35 g/mol
LogP-0.54
Rot. Bonds5

About 4-(2-methoxyethyl)-5-(2-methyloxolan-3-yl)-1,2,4-triazole-3-sulfonamide

4-(2-methoxyethyl)-5-(2-methyloxolan-3-yl)-1,2,4-triazole-3-sulfonamide (PubChem CID 113366276) has the molecular formula C10H18N4O4S and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-5-(2-methyloxolan-3-yl)-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethyl)-5-(2-methyloxolan-3-yl)-1,2,4-triazole-3-sulfonamide
PubChem CID113366276
Molecular FormulaC10H18N4O4S
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC Name4-(2-methoxyethyl)-5-(2-methyloxolan-3-yl)-1,2,4-triazole-3-sulfonamide
SMILESCOCCn1c(C2CCOC2C)nnc1S(N)(=O)=O
InChIInChI=1S/C10H18N4O4S/c1-7-8(3-5-18-7)9-12-13-10(19(11,15)16)14(9)4-6-17-2/h7-8H,3-6H2,1-2H3,(H2,11,15,16)
InChIKeyGVVXYVWIRHAXRJ-UHFFFAOYSA-N
XLogP-0.54
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(chloromethyl)-4-ethyl-5-(2-methyloxolan-3-yl)-1,2,4-triazole
CID 115398131
5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide
CID 104643384
4-(2-methoxyethyl)-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonamide
CID 136742909
3-(2-methyloxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 79762655
methyl 5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112619114
2-[[5-(2-methyloxolan-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 113300657
5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine
CID 79760347
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyloxolan-3-yl)methanamine
CID 105043083
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyloxolan-3-yl)methanone
CID 115815281
[5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 113301473
3-(2-methoxyethyl)-2-methyloxolane
CID 134557214
4-(2-methoxyethyl)-5-(propoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 107944163

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-5-(2-methyloxolan-3-yl)-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 4-(2-methoxyethyl)-5-(2-methyloxolan-3-yl)-1,2,4-triazole-3-sulfonamide (CID 113366276) is 4-(2-methoxyethyl)-5-(2-methyloxolan-3-yl)-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 4-(2-methoxyethyl)-5-(2-methyloxolan-3-yl)-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 4-(2-methoxyethyl)-5-(2-methyloxolan-3-yl)-1,2,4-triazole-3-sulfonamide is COCCn1c(C2CCOC2C)nnc1S(N)(=O)=O.
What is the InChIKey of 4-(2-methoxyethyl)-5-(2-methyloxolan-3-yl)-1,2,4-triazole-3-sulfonamide?
The InChIKey is GVVXYVWIRHAXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-7-8(3-5-18-7)9-12-13-10(19(11,15)16)14(9)4-6-17-2/h7-8H,3-6H2,1-2H3,(H2,11,15,16).
What are the key properties of 4-(2-methoxyethyl)-5-(2-methyloxolan-3-yl)-1,2,4-triazole-3-sulfonamide?
4-(2-methoxyethyl)-5-(2-methyloxolan-3-yl)-1,2,4-triazole-3-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of -0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-5-(2-methyloxolan-3-yl)-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 113366276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).