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

C5H10N4O5S2 — CID 83101756

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-methylsulfonylmethanesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)CS(C)(=O)=O)n1
InChIInChI=1S/C5H10N4O5S2/c1-14-5-6-4(7-8-5)9-16(12,13)3-15(2,10)11/h3H2,1-2H3,(H2,6,7,8,9)
InChIKeyAMTAOJLYPQTPCS-UHFFFAOYSA-N
MW270.29 g/mol
LogP-1.44
Rot. Bonds5

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-methylsulfonylmethanesulfonamide (PubChem CID 83101756) has the molecular formula C5H10N4O5S2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-methylsulfonylmethanesulfonamide
PubChem CID83101756
Molecular FormulaC5H10N4O5S2
Molecular Weight270.29 g/mol
Exact Mass270.01
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-methylsulfonylmethanesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)CS(C)(=O)=O)n1
InChIInChI=1S/C5H10N4O5S2/c1-14-5-6-4(7-8-5)9-16(12,13)3-15(2,10)11/h3H2,1-2H3,(H2,6,7,8,9)
InChIKeyAMTAOJLYPQTPCS-UHFFFAOYSA-N
XLogP-1.44
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-methylsulfonylmethanesulfonamide (CID 83101756) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-methylsulfonylmethanesulfonamide is COc1n[nH]c(NS(=O)(=O)CS(C)(=O)=O)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-methylsulfonylmethanesulfonamide?
The InChIKey is AMTAOJLYPQTPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O5S2/c1-14-5-6-4(7-8-5)9-16(12,13)3-15(2,10)11/h3H2,1-2H3,(H2,6,7,8,9).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-methylsulfonylmethanesulfonamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-methylsulfonylmethanesulfonamide has a molecular weight of 270.29 g/mol, XLogP of -1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 83101756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).