4,6-dimethyl-3-methylsulfonyl-2-propylsulfonylpyridine

C11H17NO4S2 — CID 1484380

IUPAC4,6-dimethyl-3-methylsulfonyl-2-propylsulfonylpyridine
SMILESCCCS(=O)(=O)c1nc(C)cc(C)c1S(C)(=O)=O
InChIInChI=1S/C11H17NO4S2/c1-5-6-18(15,16)11-10(17(4,13)14)8(2)7-9(3)12-11/h7H,5-6H2,1-4H3
InChIKeyNHDVQAZYGIDXFR-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.29
Rot. Bonds4

About 4,6-dimethyl-3-methylsulfonyl-2-propylsulfonylpyridine

4,6-dimethyl-3-methylsulfonyl-2-propylsulfonylpyridine (PubChem CID 1484380) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4,6-dimethyl-3-methylsulfonyl-2-propylsulfonylpyridine.

Molecular Properties

Compound Name4,6-dimethyl-3-methylsulfonyl-2-propylsulfonylpyridine
PubChem CID1484380
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Name4,6-dimethyl-3-methylsulfonyl-2-propylsulfonylpyridine
SMILESCCCS(=O)(=O)c1nc(C)cc(C)c1S(C)(=O)=O
InChIInChI=1S/C11H17NO4S2/c1-5-6-18(15,16)11-10(17(4,13)14)8(2)7-9(3)12-11/h7H,5-6H2,1-4H3
InChIKeyNHDVQAZYGIDXFR-UHFFFAOYSA-N
XLogP1.29
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-methylsulfonyl-2-propylsulfonylpyridine?
The IUPAC name of 4,6-dimethyl-3-methylsulfonyl-2-propylsulfonylpyridine (CID 1484380) is 4,6-dimethyl-3-methylsulfonyl-2-propylsulfonylpyridine.
What is the SMILES notation for 4,6-dimethyl-3-methylsulfonyl-2-propylsulfonylpyridine?
The canonical SMILES for 4,6-dimethyl-3-methylsulfonyl-2-propylsulfonylpyridine is CCCS(=O)(=O)c1nc(C)cc(C)c1S(C)(=O)=O.
What is the InChIKey of 4,6-dimethyl-3-methylsulfonyl-2-propylsulfonylpyridine?
The InChIKey is NHDVQAZYGIDXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-5-6-18(15,16)11-10(17(4,13)14)8(2)7-9(3)12-11/h7H,5-6H2,1-4H3.
What are the key properties of 4,6-dimethyl-3-methylsulfonyl-2-propylsulfonylpyridine?
4,6-dimethyl-3-methylsulfonyl-2-propylsulfonylpyridine has a molecular weight of 291.39 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-methylsulfonyl-2-propylsulfonylpyridine is sourced from PubChem (CID 1484380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).