(2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide

C10H14N2O3S — CID 94025050

IUPAC(2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
SMILESCc1ccc(NC(=O)[C@H](C)S(C)(=O)=O)nc1
InChIInChI=1S/C10H14N2O3S/c1-7-4-5-9(11-6-7)12-10(13)8(2)16(3,14)15/h4-6,8H,1-3H3,(H,11,12,13)/t8-/m0/s1
InChIKeyLYUIXEJUWHNFSC-QMMMGPOBSA-N
MW242.30 g/mol
LogP0.76
Rot. Bonds3

About (2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide

(2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide (PubChem CID 94025050) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is (2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
PubChem CID94025050
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name(2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
SMILESCc1ccc(NC(=O)[C@H](C)S(C)(=O)=O)nc1
InChIInChI=1S/C10H14N2O3S/c1-7-4-5-9(11-6-7)12-10(13)8(2)16(3,14)15/h4-6,8H,1-3H3,(H,11,12,13)/t8-/m0/s1
InChIKeyLYUIXEJUWHNFSC-QMMMGPOBSA-N
XLogP0.76
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide
CID 55756646
6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid
CID 113421841
(2S)-2-amino-N-(5-methyl-2-pyridinyl)propanamide
CID 61147752
N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
CID 112697409
N,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide
CID 3419355
N-(5-methyl-2-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 60841992
N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
CID 16583790
(2R)-2-amino-N-(5-methyl-2-pyridinyl)-2-phenylacetamide
CID 61148111
N-(5-methyl-2-pyridinyl)-2-phenoxy-2-phenylacetamide
CID 60543327
(2R)-2-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 94024935
2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide
CID 118638719
(2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 35026880

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide?
The IUPAC name of (2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide (CID 94025050) is (2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide?
The canonical SMILES for (2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide is Cc1ccc(NC(=O)[C@H](C)S(C)(=O)=O)nc1.
What is the InChIKey of (2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide?
The InChIKey is LYUIXEJUWHNFSC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-7-4-5-9(11-6-7)12-10(13)8(2)16(3,14)15/h4-6,8H,1-3H3,(H,11,12,13)/t8-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide?
(2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide has a molecular weight of 242.30 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 94025050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).