(2S)-2-methyl-N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]hexanamide

C15H24N2O4S — CID 124738259

IUPAC(2S)-2-methyl-N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]hexanamide
SMILESCCCC[C@H](C)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O
InChIInChI=1S/C15H24N2O4S/c1-4-5-7-12(2)14(18)16-13-8-6-9-17(15(13)19)10-11-22(3,20)21/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyQRDPGNOOSCCKPC-LBPRGKRZSA-N
MW328.43 g/mol
LogP1.66
Rot. Bonds8

About (2S)-2-methyl-N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]hexanamide

(2S)-2-methyl-N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]hexanamide (PubChem CID 124738259) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is (2S)-2-methyl-N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]hexanamide
PubChem CID124738259
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name(2S)-2-methyl-N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]hexanamide
SMILESCCCC[C@H](C)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O
InChIInChI=1S/C15H24N2O4S/c1-4-5-7-12(2)14(18)16-13-8-6-9-17(15(13)19)10-11-22(3,20)21/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyQRDPGNOOSCCKPC-LBPRGKRZSA-N
XLogP1.66
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methylsulfonylethyl)pyrrol-2-yl]methanol
CID 66398455
N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]-4-naphthalen-1-yloxybutanamide
CID 75434277
2-methyl-N-[2-[[2-(2-methylundecanoylamino)phenyl]disulfanyl]phenyl]undecanamide
CID 57116569
1-(2-methylsulfonylethyl)pyrrole-2-carboxylic acid
CID 60926704
(2S)-2-methyl-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide
CID 124846633
N-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide
CID 25250136
(2S)-2-amino-N-[1-(2-amino-2-oxoethyl)-2-oxo-3-pyridinyl]-3-methylbutanamide
CID 11845094
methyl 3-(2-methylhexanoylamino)thiophene-2-carboxylate
CID 114246788
3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one
CID 115610761
3-amino-1-pentylpyridin-2-one
CID 62102446
N-[2-(bromomethyl)phenyl]-2-methylpentanamide
CID 114309617
1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole
CID 95135192

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]hexanamide?
The IUPAC name of (2S)-2-methyl-N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]hexanamide (CID 124738259) is (2S)-2-methyl-N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]hexanamide.
What is the SMILES notation for (2S)-2-methyl-N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]hexanamide?
The canonical SMILES for (2S)-2-methyl-N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]hexanamide is CCCC[C@H](C)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O.
What is the InChIKey of (2S)-2-methyl-N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]hexanamide?
The InChIKey is QRDPGNOOSCCKPC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-4-5-7-12(2)14(18)16-13-8-6-9-17(15(13)19)10-11-22(3,20)21/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]hexanamide?
(2S)-2-methyl-N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]hexanamide has a molecular weight of 328.43 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]hexanamide is sourced from PubChem (CID 124738259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).