4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane

C14H18N2O4S — CID 123561317

IUPAC4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane
SMILESCC.NCc1ccn(S(=O)(=O)c2ccccc2)c(=O)c1O
InChIInChI=1S/C12H12N2O4S.C2H6/c13-8-9-6-7-14(12(16)11(9)15)19(17,18)10-4-2-1-3-5-10;1-2/h1-7,15H,8,13H2;1-2H3
InChIKeyYCKAQSXZMUNJIN-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.28
Rot. Bonds3

About 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane

4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane (PubChem CID 123561317) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane.

Molecular Properties

Compound Name4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane
PubChem CID123561317
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane
SMILESCC.NCc1ccn(S(=O)(=O)c2ccccc2)c(=O)c1O
InChIInChI=1S/C12H12N2O4S.C2H6/c13-8-9-6-7-14(12(16)11(9)15)19(17,18)10-4-2-1-3-5-10;1-2/h1-7,15H,8,13H2;1-2H3
InChIKeyYCKAQSXZMUNJIN-UHFFFAOYSA-N
XLogP1.28
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane?
The IUPAC name of 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane (CID 123561317) is 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane.
What is the SMILES notation for 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane?
The canonical SMILES for 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane is CC.NCc1ccn(S(=O)(=O)c2ccccc2)c(=O)c1O.
What is the InChIKey of 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane?
The InChIKey is YCKAQSXZMUNJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S.C2H6/c13-8-9-6-7-14(12(16)11(9)15)19(17,18)10-4-2-1-3-5-10;1-2/h1-7,15H,8,13H2;1-2H3.
What are the key properties of 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane?
4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane has a molecular weight of 310.38 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane is sourced from PubChem (CID 123561317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).