3-(2-methylpropylsulfonyl)pyridine

C9H13NO2S — CID 166834776

IUPAC3-(2-methylpropylsulfonyl)pyridine
SMILESCC(C)CS(=O)(=O)c1cccnc1
InChIInChI=1S/C9H13NO2S/c1-8(2)7-13(11,12)9-4-3-5-10-6-9/h3-6,8H,7H2,1-2H3
InChIKeyIBJVFEDPGXEPSJ-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.51
Rot. Bonds3

About 3-(2-methylpropylsulfonyl)pyridine

3-(2-methylpropylsulfonyl)pyridine (PubChem CID 166834776) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-(2-methylpropylsulfonyl)pyridine.

Molecular Properties

Compound Name3-(2-methylpropylsulfonyl)pyridine
PubChem CID166834776
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name3-(2-methylpropylsulfonyl)pyridine
SMILESCC(C)CS(=O)(=O)c1cccnc1
InChIInChI=1S/C9H13NO2S/c1-8(2)7-13(11,12)9-4-3-5-10-6-9/h3-6,8H,7H2,1-2H3
InChIKeyIBJVFEDPGXEPSJ-UHFFFAOYSA-N
XLogP1.51
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethylsulfonyl)pyridine
CID 75530035
N-(2-methylpropoxy)pyridine-3-sulfonamide
CID 82715021
3-(2-methylpropyl)-5-(pyridin-3-ylsulfonylmethyl)-1,2,4-oxadiazole
CID 146144303
3,3-dimethyl-1-pyridin-3-ylsulfonylbutan-2-one
CID 58129199
4-propan-2-yl-3-(pyridin-3-ylsulfonylmethyl)-1,2-oxazole
CID 167847128
N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030805
N-(1-amino-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 63767546
ethyl pyridine-3-sulfonate
CID 156789856
N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 115477930
N-[2-(diethylamino)propyl]pyridine-3-sulfonamide
CID 60548624
N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 79256160
pyridine-3-sulfonamide;hydrochloride
CID 67156649

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylsulfonyl)pyridine?
The IUPAC name of 3-(2-methylpropylsulfonyl)pyridine (CID 166834776) is 3-(2-methylpropylsulfonyl)pyridine.
What is the SMILES notation for 3-(2-methylpropylsulfonyl)pyridine?
The canonical SMILES for 3-(2-methylpropylsulfonyl)pyridine is CC(C)CS(=O)(=O)c1cccnc1.
What is the InChIKey of 3-(2-methylpropylsulfonyl)pyridine?
The InChIKey is IBJVFEDPGXEPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-8(2)7-13(11,12)9-4-3-5-10-6-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 3-(2-methylpropylsulfonyl)pyridine?
3-(2-methylpropylsulfonyl)pyridine has a molecular weight of 199.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylsulfonyl)pyridine is sourced from PubChem (CID 166834776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).