2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]ethanesulfonamide

C9H14N2O3S — CID 79578690

IUPAC2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]ethanesulfonamide
SMILESCc1cccc(CNS(=O)(=O)CCO)n1
InChIInChI=1S/C9H14N2O3S/c1-8-3-2-4-9(11-8)7-10-15(13,14)6-5-12/h2-4,10,12H,5-7H2,1H3
InChIKeyVBUGPSGSRRZIAO-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.20
Rot. Bonds5

About 2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]ethanesulfonamide

2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]ethanesulfonamide (PubChem CID 79578690) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]ethanesulfonamide
PubChem CID79578690
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]ethanesulfonamide
SMILESCc1cccc(CNS(=O)(=O)CCO)n1
InChIInChI=1S/C9H14N2O3S/c1-8-3-2-4-9(11-8)7-10-15(13,14)6-5-12/h2-4,10,12H,5-7H2,1H3
InChIKeyVBUGPSGSRRZIAO-UHFFFAOYSA-N
XLogP-0.20
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanesulfonamide
CID 79578505
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 139174842
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 62309272
5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
CID 61059094
5-amino-2-fluoro-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 80628498
3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61059093
ethane;(6-methyl-2-pyridinyl)methanol
CID 123372592
(6-methyl-2-pyridinyl)methanol;hydrochloride
CID 18413908
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859
3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 106055024
4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 106996904

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]ethanesulfonamide?
The IUPAC name of 2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]ethanesulfonamide (CID 79578690) is 2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]ethanesulfonamide is Cc1cccc(CNS(=O)(=O)CCO)n1.
What is the InChIKey of 2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]ethanesulfonamide?
The InChIKey is VBUGPSGSRRZIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-8-3-2-4-9(11-8)7-10-15(13,14)6-5-12/h2-4,10,12H,5-7H2,1H3.
What are the key properties of 2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]ethanesulfonamide?
2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]ethanesulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]ethanesulfonamide is sourced from PubChem (CID 79578690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).