4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine

C12H18N2O2S — CID 61356341

IUPAC4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine
SMILESCC(C)S(=O)(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C12H18N2O2S/c1-10(2)17(15,16)14-9-3-4-12(14)11-5-7-13-8-6-11/h5-8,10,12H,3-4,9H2,1-2H3
InChIKeyDZPXUHWZQSVOPG-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.96
Rot. Bonds3

About 4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine

4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine (PubChem CID 61356341) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine.

Molecular Properties

Compound Name4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine
PubChem CID61356341
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine
SMILESCC(C)S(=O)(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C12H18N2O2S/c1-10(2)17(15,16)14-9-3-4-12(14)11-5-7-13-8-6-11/h5-8,10,12H,3-4,9H2,1-2H3
InChIKeyDZPXUHWZQSVOPG-UHFFFAOYSA-N
XLogP1.96
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine?
The IUPAC name of 4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine (CID 61356341) is 4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine.
What is the SMILES notation for 4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine?
The canonical SMILES for 4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine is CC(C)S(=O)(=O)N1CCCC1c1ccncc1.
What is the InChIKey of 4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine?
The InChIKey is DZPXUHWZQSVOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10(2)17(15,16)14-9-3-4-12(14)11-5-7-13-8-6-11/h5-8,10,12H,3-4,9H2,1-2H3.
What are the key properties of 4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine?
4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine has a molecular weight of 254.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine is sourced from PubChem (CID 61356341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).