(2S)-2-methyl-3-methylsulfonylpropanamide

C5H11NO3S — CID 57086977

IUPAC(2S)-2-methyl-3-methylsulfonylpropanamide
SMILESC[C@H](CS(C)(=O)=O)C(N)=O
InChIInChI=1S/C5H11NO3S/c1-4(5(6)7)3-10(2,8)9/h4H,3H2,1-2H3,(H2,6,7)/t4-/m1/s1
InChIKeyWBQHYJSXYNCOSL-SCSAIBSYSA-N
MW165.21 g/mol
LogP-0.85
Rot. Bonds3

About (2S)-2-methyl-3-methylsulfonylpropanamide

(2S)-2-methyl-3-methylsulfonylpropanamide (PubChem CID 57086977) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is (2S)-2-methyl-3-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-2-methyl-3-methylsulfonylpropanamide
PubChem CID57086977
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name(2S)-2-methyl-3-methylsulfonylpropanamide
SMILESC[C@H](CS(C)(=O)=O)C(N)=O
InChIInChI=1S/C5H11NO3S/c1-4(5(6)7)3-10(2,8)9/h4H,3H2,1-2H3,(H2,6,7)/t4-/m1/s1
InChIKeyWBQHYJSXYNCOSL-SCSAIBSYSA-N
XLogP-0.85
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-methylsulfonylpropanamide?
The IUPAC name of (2S)-2-methyl-3-methylsulfonylpropanamide (CID 57086977) is (2S)-2-methyl-3-methylsulfonylpropanamide.
What is the SMILES notation for (2S)-2-methyl-3-methylsulfonylpropanamide?
The canonical SMILES for (2S)-2-methyl-3-methylsulfonylpropanamide is C[C@H](CS(C)(=O)=O)C(N)=O.
What is the InChIKey of (2S)-2-methyl-3-methylsulfonylpropanamide?
The InChIKey is WBQHYJSXYNCOSL-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-4(5(6)7)3-10(2,8)9/h4H,3H2,1-2H3,(H2,6,7)/t4-/m1/s1.
What are the key properties of (2S)-2-methyl-3-methylsulfonylpropanamide?
(2S)-2-methyl-3-methylsulfonylpropanamide has a molecular weight of 165.21 g/mol, XLogP of -0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-methylsulfonylpropanamide is sourced from PubChem (CID 57086977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).