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

C8H14N4O4S — CID 83102546

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)CC2CCCO2)n1
InChIInChI=1S/C8H14N4O4S/c1-15-8-9-7(10-11-8)12-17(13,14)5-6-3-2-4-16-6/h6H,2-5H2,1H3,(H2,9,10,11,12)
InChIKeyFXANFYMPCSLQCV-UHFFFAOYSA-N
MW262.29 g/mol
LogP-0.27
Rot. Bonds5

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 83102546) has the molecular formula C8H14N4O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID83102546
Molecular FormulaC8H14N4O4S
Molecular Weight262.29 g/mol
Exact Mass262.07
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)CC2CCCO2)n1
InChIInChI=1S/C8H14N4O4S/c1-15-8-9-7(10-11-8)12-17(13,14)5-6-3-2-4-16-6/h6H,2-5H2,1H3,(H2,9,10,11,12)
InChIKeyFXANFYMPCSLQCV-UHFFFAOYSA-N
XLogP-0.27
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide
CID 83102668
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(oxolan-2-yl)acetamide
CID 104817850
methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 62733314
N-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide
CID 65098715
methyl 4-(oxolan-2-ylmethylsulfonylamino)cyclohexane-1-carboxylate
CID 115617300
5-(oxolan-2-ylmethylsulfonylamino)-1H-pyrazole-4-carbothioamide
CID 79499481
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933
N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247039
methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate
CID 55174697
N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide
CID 95339490
N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
N-[2-(ethylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246962

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-(oxolan-2-yl)methanesulfonamide (CID 83102546) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-(oxolan-2-yl)methanesulfonamide is COc1n[nH]c(NS(=O)(=O)CC2CCCO2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is FXANFYMPCSLQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4S/c1-15-8-9-7(10-11-8)12-17(13,14)5-6-3-2-4-16-6/h6H,2-5H2,1H3,(H2,9,10,11,12).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-(oxolan-2-yl)methanesulfonamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 262.29 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 83102546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).