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

C11H17NO3S2 — CID 1484379

IUPAC4,6-dimethyl-3-methylsulfonyl-2-propylsulfinylpyridine
SMILESCCCS(=O)c1nc(C)cc(C)c1S(C)(=O)=O
InChIInChI=1S/C11H17NO3S2/c1-5-6-16(13)11-10(17(4,14)15)8(2)7-9(3)12-11/h7H,5-6H2,1-4H3
InChIKeyZYBCKKOMZKWTTQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.62
Rot. Bonds4

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

4,6-dimethyl-3-methylsulfonyl-2-propylsulfinylpyridine (PubChem CID 1484379) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4,6-dimethyl-3-methylsulfonyl-2-propylsulfinylpyridine.

Molecular Properties

Compound Name4,6-dimethyl-3-methylsulfonyl-2-propylsulfinylpyridine
PubChem CID1484379
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC Name4,6-dimethyl-3-methylsulfonyl-2-propylsulfinylpyridine
SMILESCCCS(=O)c1nc(C)cc(C)c1S(C)(=O)=O
InChIInChI=1S/C11H17NO3S2/c1-5-6-16(13)11-10(17(4,14)15)8(2)7-9(3)12-11/h7H,5-6H2,1-4H3
InChIKeyZYBCKKOMZKWTTQ-UHFFFAOYSA-N
XLogP1.62
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-methylsulfonyl-2-propylsulfinylpyridine?
The IUPAC name of 4,6-dimethyl-3-methylsulfonyl-2-propylsulfinylpyridine (CID 1484379) is 4,6-dimethyl-3-methylsulfonyl-2-propylsulfinylpyridine.
What is the SMILES notation for 4,6-dimethyl-3-methylsulfonyl-2-propylsulfinylpyridine?
The canonical SMILES for 4,6-dimethyl-3-methylsulfonyl-2-propylsulfinylpyridine is CCCS(=O)c1nc(C)cc(C)c1S(C)(=O)=O.
What is the InChIKey of 4,6-dimethyl-3-methylsulfonyl-2-propylsulfinylpyridine?
The InChIKey is ZYBCKKOMZKWTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-5-6-16(13)11-10(17(4,14)15)8(2)7-9(3)12-11/h7H,5-6H2,1-4H3.
What are the key properties of 4,6-dimethyl-3-methylsulfonyl-2-propylsulfinylpyridine?
4,6-dimethyl-3-methylsulfonyl-2-propylsulfinylpyridine has a molecular weight of 275.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-methylsulfonyl-2-propylsulfinylpyridine is sourced from PubChem (CID 1484379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).