ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide

C9H16N2O2S — CID 143921222

IUPACethane;N-(5-methyl-3-pyridinyl)methanesulfonamide
SMILESCC.Cc1cncc(NS(C)(=O)=O)c1
InChIInChI=1S/C7H10N2O2S.C2H6/c1-6-3-7(5-8-4-6)9-12(2,10)11;1-2/h3-5,9H,1-2H3;1-2H3
InChIKeyAFOLWCJWDMLKAO-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.79
Rot. Bonds2

About ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide

ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide (PubChem CID 143921222) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Nameethane;N-(5-methyl-3-pyridinyl)methanesulfonamide
PubChem CID143921222
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Nameethane;N-(5-methyl-3-pyridinyl)methanesulfonamide
SMILESCC.Cc1cncc(NS(C)(=O)=O)c1
InChIInChI=1S/C7H10N2O2S.C2H6/c1-6-3-7(5-8-4-6)9-12(2,10)11;1-2/h3-5,9H,1-2H3;1-2H3
InChIKeyAFOLWCJWDMLKAO-UHFFFAOYSA-N
XLogP1.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid
CID 107584611
2-(dimethylamino)-N-(5-methyl-3-pyridinyl)ethanesulfonamide;ethane
CID 145106836
N-(5-formyl-3-pyridinyl)methanesulfonamide
CID 90104124
4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585953
3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727340
3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 110727384
2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727391
ethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide
CID 145106847
3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide
CID 106088035
4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584526
3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 106088096
6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584499

Frequently Asked Questions

What is the IUPAC name of ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide?
The IUPAC name of ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide (CID 143921222) is ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide.
What is the SMILES notation for ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide?
The canonical SMILES for ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide is CC.Cc1cncc(NS(C)(=O)=O)c1.
What is the InChIKey of ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide?
The InChIKey is AFOLWCJWDMLKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S.C2H6/c1-6-3-7(5-8-4-6)9-12(2,10)11;1-2/h3-5,9H,1-2H3;1-2H3.
What are the key properties of ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide?
ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide has a molecular weight of 216.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide is sourced from PubChem (CID 143921222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).