2-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanesulfonamide

C8H16N4O3S — CID 64510168

IUPAC2-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C8H16N4O3S/c1-7-9-8(11-10-7)6-12(2)16(13,14)5-4-15-3/h4-6H2,1-3H3,(H,9,10,11)
InChIKeyIWSQOZNRKKGGHS-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.48
Rot. Bonds6

About 2-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanesulfonamide

2-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanesulfonamide (PubChem CID 64510168) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanesulfonamide
PubChem CID64510168
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC Name2-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C8H16N4O3S/c1-7-9-8(11-10-7)6-12(2)16(13,14)5-4-15-3/h4-6H2,1-3H3,(H,9,10,11)
InChIKeyIWSQOZNRKKGGHS-UHFFFAOYSA-N
XLogP-0.48
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanesulfonamide (CID 64510168) is 2-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanesulfonamide is COCCS(=O)(=O)N(C)Cc1n[nH]c(C)n1.
What is the InChIKey of 2-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanesulfonamide?
The InChIKey is IWSQOZNRKKGGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c1-7-9-8(11-10-7)6-12(2)16(13,14)5-4-15-3/h4-6H2,1-3H3,(H,9,10,11).
What are the key properties of 2-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanesulfonamide?
2-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanesulfonamide has a molecular weight of 248.31 g/mol, XLogP of -0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 64510168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).