5-[(2-methylsulfonylcyclopentyl)amino]-1-propylpyridin-2-one

C14H22N2O3S — CID 65046145

IUPAC5-[(2-methylsulfonylcyclopentyl)amino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC2CCCC2S(C)(=O)=O)ccc1=O
InChIInChI=1S/C14H22N2O3S/c1-3-9-16-10-11(7-8-14(16)17)15-12-5-4-6-13(12)20(2,18)19/h7-8,10,12-13,15H,3-6,9H2,1-2H3
InChIKeyLAWSOPCSAXXVRU-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.64
Rot. Bonds5

About 5-[(2-methylsulfonylcyclopentyl)amino]-1-propylpyridin-2-one

5-[(2-methylsulfonylcyclopentyl)amino]-1-propylpyridin-2-one (PubChem CID 65046145) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-[(2-methylsulfonylcyclopentyl)amino]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[(2-methylsulfonylcyclopentyl)amino]-1-propylpyridin-2-one
PubChem CID65046145
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name5-[(2-methylsulfonylcyclopentyl)amino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC2CCCC2S(C)(=O)=O)ccc1=O
InChIInChI=1S/C14H22N2O3S/c1-3-9-16-10-11(7-8-14(16)17)15-12-5-4-6-13(12)20(2,18)19/h7-8,10,12-13,15H,3-6,9H2,1-2H3
InChIKeyLAWSOPCSAXXVRU-UHFFFAOYSA-N
XLogP1.64
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylsulfonylcyclopentyl)amino]-1-propylpyridin-2-one?
The IUPAC name of 5-[(2-methylsulfonylcyclopentyl)amino]-1-propylpyridin-2-one (CID 65046145) is 5-[(2-methylsulfonylcyclopentyl)amino]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[(2-methylsulfonylcyclopentyl)amino]-1-propylpyridin-2-one?
The canonical SMILES for 5-[(2-methylsulfonylcyclopentyl)amino]-1-propylpyridin-2-one is CCCn1cc(NC2CCCC2S(C)(=O)=O)ccc1=O.
What is the InChIKey of 5-[(2-methylsulfonylcyclopentyl)amino]-1-propylpyridin-2-one?
The InChIKey is LAWSOPCSAXXVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-9-16-10-11(7-8-14(16)17)15-12-5-4-6-13(12)20(2,18)19/h7-8,10,12-13,15H,3-6,9H2,1-2H3.
What are the key properties of 5-[(2-methylsulfonylcyclopentyl)amino]-1-propylpyridin-2-one?
5-[(2-methylsulfonylcyclopentyl)amino]-1-propylpyridin-2-one has a molecular weight of 298.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylsulfonylcyclopentyl)amino]-1-propylpyridin-2-one is sourced from PubChem (CID 65046145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).