N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-2-sulfonamide

C7H14N4O3S — CID 83095403

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-2-sulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)C(C)(C)C)n1
InChIInChI=1S/C7H14N4O3S/c1-7(2,3)15(12,13)11-5-8-6(14-4)10-9-5/h1-4H3,(H2,8,9,10,11)
InChIKeyZAZXUNQVVYTBNI-UHFFFAOYSA-N
MW234.28 g/mol
LogP0.35
Rot. Bonds3

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-2-sulfonamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-2-sulfonamide (PubChem CID 83095403) has the molecular formula C7H14N4O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-2-sulfonamide
PubChem CID83095403
Molecular FormulaC7H14N4O3S
Molecular Weight234.28 g/mol
Exact Mass234.08
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-2-sulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)C(C)(C)C)n1
InChIInChI=1S/C7H14N4O3S/c1-7(2,3)15(12,13)11-5-8-6(14-4)10-9-5/h1-4H3,(H2,8,9,10,11)
InChIKeyZAZXUNQVVYTBNI-UHFFFAOYSA-N
XLogP0.35
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-2-sulfonamide (CID 83095403) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-2-sulfonamide is COc1n[nH]c(NS(=O)(=O)C(C)(C)C)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-2-sulfonamide?
The InChIKey is ZAZXUNQVVYTBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3S/c1-7(2,3)15(12,13)11-5-8-6(14-4)10-9-5/h1-4H3,(H2,8,9,10,11).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-2-sulfonamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-2-sulfonamide has a molecular weight of 234.28 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 83095403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).