ethane;N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide

C11H18N2O3S — CID 178151141

IUPACethane;N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide
SMILESCC.CC(=O)Nc1ncc(S(C)(=O)=O)cc1C
InChIInChI=1S/C9H12N2O3S.C2H6/c1-6-4-8(15(3,13)14)5-10-9(6)11-7(2)12;1-2/h4-5H,1-3H3,(H,10,11,12);1-2H3
InChIKeyADQFJFBFXQVNGQ-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.78
Rot. Bonds2

About ethane;N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide

ethane;N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide (PubChem CID 178151141) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is ethane;N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Nameethane;N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide
PubChem CID178151141
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Nameethane;N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide
SMILESCC.CC(=O)Nc1ncc(S(C)(=O)=O)cc1C
InChIInChI=1S/C9H12N2O3S.C2H6/c1-6-4-8(15(3,13)14)5-10-9(6)11-7(2)12;1-2/h4-5H,1-3H3,(H,10,11,12);1-2H3
InChIKeyADQFJFBFXQVNGQ-UHFFFAOYSA-N
XLogP1.78
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide?
The IUPAC name of ethane;N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide (CID 178151141) is ethane;N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide.
What is the SMILES notation for ethane;N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide?
The canonical SMILES for ethane;N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide is CC.CC(=O)Nc1ncc(S(C)(=O)=O)cc1C.
What is the InChIKey of ethane;N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide?
The InChIKey is ADQFJFBFXQVNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S.C2H6/c1-6-4-8(15(3,13)14)5-10-9(6)11-7(2)12;1-2/h4-5H,1-3H3,(H,10,11,12);1-2H3.
What are the key properties of ethane;N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide?
ethane;N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide has a molecular weight of 258.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide is sourced from PubChem (CID 178151141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).