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

C5H10N4O3S — CID 104818613

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide
SMILESCCOc1n[nH]c(NS(C)(=O)=O)n1
InChIInChI=1S/C5H10N4O3S/c1-3-12-5-6-4(7-8-5)9-13(2,10)11/h3H2,1-2H3,(H2,6,7,8,9)
InChIKeyBRVBDBZRRSXJPD-UHFFFAOYSA-N
MW206.23 g/mol
LogP-0.43
Rot. Bonds4

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

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide (PubChem CID 104818613) has the molecular formula C5H10N4O3S and a molecular weight of 206.23 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide
PubChem CID104818613
Molecular FormulaC5H10N4O3S
Molecular Weight206.23 g/mol
Exact Mass206.05
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide
SMILESCCOc1n[nH]c(NS(C)(=O)=O)n1
InChIInChI=1S/C5H10N4O3S/c1-3-12-5-6-4(7-8-5)9-13(2,10)11/h3H2,1-2H3,(H2,6,7,8,9)
InChIKeyBRVBDBZRRSXJPD-UHFFFAOYSA-N
XLogP-0.43
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethoxy-1H-1,2,4-triazol-3-amine
CID 13045208
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 104818593
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-difluoromethanesulfonamide
CID 104818602
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1,1-trifluoromethanesulfonamide
CID 104818632
2-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide
CID 83093070
1-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide
CID 83095306
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-2-sulfonamide
CID 83095403
N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide
CID 83096029
3-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
CID 83100947
N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropanesulfonamide
CID 83101640
N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
CID 83101648
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-methylsulfonylmethanesulfonamide
CID 83101756

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide (CID 104818613) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide is CCOc1n[nH]c(NS(C)(=O)=O)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide?
The InChIKey is BRVBDBZRRSXJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O3S/c1-3-12-5-6-4(7-8-5)9-13(2,10)11/h3H2,1-2H3,(H2,6,7,8,9).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide has a molecular weight of 206.23 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide is sourced from PubChem (CID 104818613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).