3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-methylpyridine

C12H17NO3S — CID 123860878

IUPAC3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-methylpyridine
SMILESCCS(=O)(=O)c1ccc(OCC2CC2)c(C)n1
InChIInChI=1S/C12H17NO3S/c1-3-17(14,15)12-7-6-11(9(2)13-12)16-8-10-4-5-10/h6-7,10H,3-5,8H2,1-2H3
InChIKeyZCMDRVBYDFTMPD-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.97
Rot. Bonds5

About 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-methylpyridine

3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-methylpyridine (PubChem CID 123860878) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-methylpyridine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-methylpyridine
PubChem CID123860878
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-methylpyridine
SMILESCCS(=O)(=O)c1ccc(OCC2CC2)c(C)n1
InChIInChI=1S/C12H17NO3S/c1-3-17(14,15)12-7-6-11(9(2)13-12)16-8-10-4-5-10/h6-7,10H,3-5,8H2,1-2H3
InChIKeyZCMDRVBYDFTMPD-UHFFFAOYSA-N
XLogP1.97
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-iodopyridine
CID 118021993
4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide
CID 43560584
4-(cyclopropylmethoxy)-3-methoxy-2-methylpyridine
CID 10535781
1-[4-[(6-chloro-2-methyl-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 155790751
1-(cyclopropylmethoxy)-4-ethyl-2-methylbenzene
CID 155323138
ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate
CID 133080995
3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid
CID 79157043
methyl 6-chlorosulfonyl-3-(oxan-4-ylmethoxy)pyridine-2-carboxylate
CID 138518286
4-[3-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]-6-fluoro-2-methylisoquinolin-1-one
CID 118022951
N-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine
CID 113386847
8-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-6-methyl-5H-pyrido[4,3-d]pyrimidine
CID 118022605
4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide
CID 82900891

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-methylpyridine?
The IUPAC name of 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-methylpyridine (CID 123860878) is 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-methylpyridine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-methylpyridine?
The canonical SMILES for 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-methylpyridine is CCS(=O)(=O)c1ccc(OCC2CC2)c(C)n1.
What is the InChIKey of 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-methylpyridine?
The InChIKey is ZCMDRVBYDFTMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-17(14,15)12-7-6-11(9(2)13-12)16-8-10-4-5-10/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-methylpyridine?
3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-methylpyridine has a molecular weight of 255.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-methylpyridine is sourced from PubChem (CID 123860878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).