N-[[1-(1-methyl-2-oxopyrrolidin-3-yl)triazol-4-yl]methyl]ethanesulfonamide

C10H17N5O3S — CID 126835742

IUPACN-[[1-(1-methyl-2-oxopyrrolidin-3-yl)triazol-4-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cn(C2CCN(C)C2=O)nn1
InChIInChI=1S/C10H17N5O3S/c1-3-19(17,18)11-6-8-7-15(13-12-8)9-4-5-14(2)10(9)16/h7,9,11H,3-6H2,1-2H3
InChIKeyWWSWELCAVKUCDJ-UHFFFAOYSA-N
MW287.35 g/mol
LogP-0.88
Rot. Bonds5

About N-[[1-(1-methyl-2-oxopyrrolidin-3-yl)triazol-4-yl]methyl]ethanesulfonamide

N-[[1-(1-methyl-2-oxopyrrolidin-3-yl)triazol-4-yl]methyl]ethanesulfonamide (PubChem CID 126835742) has the molecular formula C10H17N5O3S and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[[1-(1-methyl-2-oxopyrrolidin-3-yl)triazol-4-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-2-oxopyrrolidin-3-yl)triazol-4-yl]methyl]ethanesulfonamide
PubChem CID126835742
Molecular FormulaC10H17N5O3S
Molecular Weight287.35 g/mol
Exact Mass287.11
IUPAC NameN-[[1-(1-methyl-2-oxopyrrolidin-3-yl)triazol-4-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cn(C2CCN(C)C2=O)nn1
InChIInChI=1S/C10H17N5O3S/c1-3-19(17,18)11-6-8-7-15(13-12-8)9-4-5-14(2)10(9)16/h7,9,11H,3-6H2,1-2H3
InChIKeyWWSWELCAVKUCDJ-UHFFFAOYSA-N
XLogP-0.88
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-2-oxopyrrolidin-3-yl)triazol-4-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[1-(1-methyl-2-oxopyrrolidin-3-yl)triazol-4-yl]methyl]ethanesulfonamide (CID 126835742) is N-[[1-(1-methyl-2-oxopyrrolidin-3-yl)triazol-4-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[1-(1-methyl-2-oxopyrrolidin-3-yl)triazol-4-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[1-(1-methyl-2-oxopyrrolidin-3-yl)triazol-4-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1cn(C2CCN(C)C2=O)nn1.
What is the InChIKey of N-[[1-(1-methyl-2-oxopyrrolidin-3-yl)triazol-4-yl]methyl]ethanesulfonamide?
The InChIKey is WWSWELCAVKUCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-3-19(17,18)11-6-8-7-15(13-12-8)9-4-5-14(2)10(9)16/h7,9,11H,3-6H2,1-2H3.
What are the key properties of N-[[1-(1-methyl-2-oxopyrrolidin-3-yl)triazol-4-yl]methyl]ethanesulfonamide?
N-[[1-(1-methyl-2-oxopyrrolidin-3-yl)triazol-4-yl]methyl]ethanesulfonamide has a molecular weight of 287.35 g/mol, XLogP of -0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyl-2-oxopyrrolidin-3-yl)triazol-4-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 126835742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).