ethane;2-methoxy-5-methyl-3-methylsulfonyl-6-propan-2-ylpyridine

C13H23NO3S — CID 145374345

IUPACethane;2-methoxy-5-methyl-3-methylsulfonyl-6-propan-2-ylpyridine
SMILESCC.COc1nc(C(C)C)c(C)cc1S(C)(=O)=O
InChIInChI=1S/C11H17NO3S.C2H6/c1-7(2)10-8(3)6-9(16(5,13)14)11(12-10)15-4;1-2/h6-7H,1-5H3;1-2H3
InChIKeyCKMUYPSQNXGLHL-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.95
Rot. Bonds3

About ethane;2-methoxy-5-methyl-3-methylsulfonyl-6-propan-2-ylpyridine

ethane;2-methoxy-5-methyl-3-methylsulfonyl-6-propan-2-ylpyridine (PubChem CID 145374345) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is ethane;2-methoxy-5-methyl-3-methylsulfonyl-6-propan-2-ylpyridine.

Molecular Properties

Compound Nameethane;2-methoxy-5-methyl-3-methylsulfonyl-6-propan-2-ylpyridine
PubChem CID145374345
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Nameethane;2-methoxy-5-methyl-3-methylsulfonyl-6-propan-2-ylpyridine
SMILESCC.COc1nc(C(C)C)c(C)cc1S(C)(=O)=O
InChIInChI=1S/C11H17NO3S.C2H6/c1-7(2)10-8(3)6-9(16(5,13)14)11(12-10)15-4;1-2/h6-7H,1-5H3;1-2H3
InChIKeyCKMUYPSQNXGLHL-UHFFFAOYSA-N
XLogP2.95
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;2-methoxy-5-methyl-3-methylsulfonyl-6-propan-2-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxy-5-methyl-6-propan-2-yl-3-pyridinyl)-2,2-dimethylpropanamide
CID 11219284
2-(difluoromethyl)-6-methoxy-5-methylpyridine-3-sulfonamide
CID 119025071
2-chloro-4-methoxy-5-methylsulfonylpyrimidine
CID 58333563
5-N-(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)-2-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4,5-triamine
CID 130474317
2-(difluoromethyl)-6-methoxy-3,5-dimethylpyridine
CID 130101210
2,3,5-trimethyl-6-propan-2-ylpyridine
CID 89070171
ethane;1-methyl-2-methylsulfonyl-4-propan-2-ylbenzene
CID 176666270
ethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine
CID 171625416
N-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine
CID 117365232
5-(2,4-diaminopyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-sulfonyl chloride
CID 130474339
2-methoxy-5,6-dimethyl-3-propan-2-ylpyrazine
CID 45099786
2-(difluoromethyl)-5,6-dimethoxy-3-methylpyridine
CID 130100894

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-5-methyl-3-methylsulfonyl-6-propan-2-ylpyridine?
The IUPAC name of ethane;2-methoxy-5-methyl-3-methylsulfonyl-6-propan-2-ylpyridine (CID 145374345) is ethane;2-methoxy-5-methyl-3-methylsulfonyl-6-propan-2-ylpyridine.
What is the SMILES notation for ethane;2-methoxy-5-methyl-3-methylsulfonyl-6-propan-2-ylpyridine?
The canonical SMILES for ethane;2-methoxy-5-methyl-3-methylsulfonyl-6-propan-2-ylpyridine is CC.COc1nc(C(C)C)c(C)cc1S(C)(=O)=O.
What is the InChIKey of ethane;2-methoxy-5-methyl-3-methylsulfonyl-6-propan-2-ylpyridine?
The InChIKey is CKMUYPSQNXGLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S.C2H6/c1-7(2)10-8(3)6-9(16(5,13)14)11(12-10)15-4;1-2/h6-7H,1-5H3;1-2H3.
What are the key properties of ethane;2-methoxy-5-methyl-3-methylsulfonyl-6-propan-2-ylpyridine?
ethane;2-methoxy-5-methyl-3-methylsulfonyl-6-propan-2-ylpyridine has a molecular weight of 273.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-5-methyl-3-methylsulfonyl-6-propan-2-ylpyridine is sourced from PubChem (CID 145374345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).