2-methyl-6-propan-2-ylsulfonylpyridine

C9H13NO2S — CID 58180933

IUPAC2-methyl-6-propan-2-ylsulfonylpyridine
SMILESCc1cccc(S(=O)(=O)C(C)C)n1
InChIInChI=1S/C9H13NO2S/c1-7(2)13(11,12)9-6-4-5-8(3)10-9/h4-7H,1-3H3
InChIKeyUAAJAOHBMBYKPO-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.57
Rot. Bonds2

About 2-methyl-6-propan-2-ylsulfonylpyridine

2-methyl-6-propan-2-ylsulfonylpyridine (PubChem CID 58180933) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-methyl-6-propan-2-ylsulfonylpyridine.

Molecular Properties

Compound Name2-methyl-6-propan-2-ylsulfonylpyridine
PubChem CID58180933
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-methyl-6-propan-2-ylsulfonylpyridine
SMILESCc1cccc(S(=O)(=O)C(C)C)n1
InChIInChI=1S/C9H13NO2S/c1-7(2)13(11,12)9-6-4-5-8(3)10-9/h4-7H,1-3H3
InChIKeyUAAJAOHBMBYKPO-UHFFFAOYSA-N
XLogP1.57
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-ylsulfonylpyridine?
The IUPAC name of 2-methyl-6-propan-2-ylsulfonylpyridine (CID 58180933) is 2-methyl-6-propan-2-ylsulfonylpyridine.
What is the SMILES notation for 2-methyl-6-propan-2-ylsulfonylpyridine?
The canonical SMILES for 2-methyl-6-propan-2-ylsulfonylpyridine is Cc1cccc(S(=O)(=O)C(C)C)n1.
What is the InChIKey of 2-methyl-6-propan-2-ylsulfonylpyridine?
The InChIKey is UAAJAOHBMBYKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7(2)13(11,12)9-6-4-5-8(3)10-9/h4-7H,1-3H3.
What are the key properties of 2-methyl-6-propan-2-ylsulfonylpyridine?
2-methyl-6-propan-2-ylsulfonylpyridine has a molecular weight of 199.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-ylsulfonylpyridine is sourced from PubChem (CID 58180933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).