6-methyl-1-propan-2-ylsulfonyl-2H-pyridine

C9H15NO2S — CID 173126637

IUPAC6-methyl-1-propan-2-ylsulfonyl-2H-pyridine
SMILESCC1=CC=CCN1S(=O)(=O)C(C)C
InChIInChI=1S/C9H15NO2S/c1-8(2)13(11,12)10-7-5-4-6-9(10)3/h4-6,8H,7H2,1-3H3
InChIKeyZYPVYSXJVRTTFH-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.50
Rot. Bonds2

About 6-methyl-1-propan-2-ylsulfonyl-2H-pyridine

6-methyl-1-propan-2-ylsulfonyl-2H-pyridine (PubChem CID 173126637) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 6-methyl-1-propan-2-ylsulfonyl-2H-pyridine.

Molecular Properties

Compound Name6-methyl-1-propan-2-ylsulfonyl-2H-pyridine
PubChem CID173126637
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name6-methyl-1-propan-2-ylsulfonyl-2H-pyridine
SMILESCC1=CC=CCN1S(=O)(=O)C(C)C
InChIInChI=1S/C9H15NO2S/c1-8(2)13(11,12)10-7-5-4-6-9(10)3/h4-6,8H,7H2,1-3H3
InChIKeyZYPVYSXJVRTTFH-UHFFFAOYSA-N
XLogP1.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propan-2-ylsulfonyl-2H-pyridine?
The IUPAC name of 6-methyl-1-propan-2-ylsulfonyl-2H-pyridine (CID 173126637) is 6-methyl-1-propan-2-ylsulfonyl-2H-pyridine.
What is the SMILES notation for 6-methyl-1-propan-2-ylsulfonyl-2H-pyridine?
The canonical SMILES for 6-methyl-1-propan-2-ylsulfonyl-2H-pyridine is CC1=CC=CCN1S(=O)(=O)C(C)C.
What is the InChIKey of 6-methyl-1-propan-2-ylsulfonyl-2H-pyridine?
The InChIKey is ZYPVYSXJVRTTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-8(2)13(11,12)10-7-5-4-6-9(10)3/h4-6,8H,7H2,1-3H3.
What are the key properties of 6-methyl-1-propan-2-ylsulfonyl-2H-pyridine?
6-methyl-1-propan-2-ylsulfonyl-2H-pyridine has a molecular weight of 201.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propan-2-ylsulfonyl-2H-pyridine is sourced from PubChem (CID 173126637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).