N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyethanesulfonamide

C9H18N4O4S — CID 113456567

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyethanesulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)CCOC(C)C)n1
InChIInChI=1S/C9H18N4O4S/c1-4-16-9-10-8(11-12-9)13-18(14,15)6-5-17-7(2)3/h7H,4-6H2,1-3H3,(H2,10,11,12,13)
InChIKeyFHKZWDRCSNQOGD-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.37
Rot. Bonds8

About N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyethanesulfonamide

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 113456567) has the molecular formula C9H18N4O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyethanesulfonamide
PubChem CID113456567
Molecular FormulaC9H18N4O4S
Molecular Weight278.33 g/mol
Exact Mass278.10
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyethanesulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)CCOC(C)C)n1
InChIInChI=1S/C9H18N4O4S/c1-4-16-9-10-8(11-12-9)13-18(14,15)6-5-17-7(2)3/h7H,4-6H2,1-3H3,(H2,10,11,12,13)
InChIKeyFHKZWDRCSNQOGD-UHFFFAOYSA-N
XLogP0.37
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyethanesulfonamide (CID 113456567) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyethanesulfonamide is CCOc1n[nH]c(NS(=O)(=O)CCOC(C)C)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is FHKZWDRCSNQOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O4S/c1-4-16-9-10-8(11-12-9)13-18(14,15)6-5-17-7(2)3/h7H,4-6H2,1-3H3,(H2,10,11,12,13).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyethanesulfonamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 113456567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).