N-methyl-2-methylsulfonylpropanamide

C5H11NO3S — CID 54261132

IUPACN-methyl-2-methylsulfonylpropanamide
SMILESCNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C5H11NO3S/c1-4(5(7)6-2)10(3,8)9/h4H,1-3H3,(H,6,7)
InChIKeyRDOVWTCWUMDBBM-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.83
Rot. Bonds2

About N-methyl-2-methylsulfonylpropanamide

N-methyl-2-methylsulfonylpropanamide (PubChem CID 54261132) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is N-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-methyl-2-methylsulfonylpropanamide
PubChem CID54261132
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC NameN-methyl-2-methylsulfonylpropanamide
SMILESCNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C5H11NO3S/c1-4(5(7)6-2)10(3,8)9/h4H,1-3H3,(H,6,7)
InChIKeyRDOVWTCWUMDBBM-UHFFFAOYSA-N
XLogP-0.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582870
N-cyano-2-methylsulfonylpropanamide
CID 104520389
2-(2-methylsulfonylpropanoylamino)propanoic acid
CID 115731150
(2S)-3-methyl-2-(2-methylsulfonylpropanoylamino)butanoic acid
CID 103804185
N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide
CID 104520686
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide
CID 104520531
methyl 2-(2-methylsulfonylpropanoylamino)acetate
CID 115582753
(2S,3R)-3-hydroxy-2-(2-methylsulfonylpropanoylamino)butanoic acid
CID 104964594
N,2-dimethyl-3-[methyl(methylsulfonyl)amino]propanamide
CID 103723774
N-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide
CID 104522544
(2S)-2-(2-methylsulfonylpropanoylamino)butanoic acid
CID 104517781
N-(5-hydroxypentyl)-2-methylsulfonylpropanamide
CID 107318586

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-methyl-2-methylsulfonylpropanamide (CID 54261132) is N-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-methyl-2-methylsulfonylpropanamide is CNC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-2-methylsulfonylpropanamide?
The InChIKey is RDOVWTCWUMDBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-4(5(7)6-2)10(3,8)9/h4H,1-3H3,(H,6,7).
What are the key properties of N-methyl-2-methylsulfonylpropanamide?
N-methyl-2-methylsulfonylpropanamide has a molecular weight of 165.21 g/mol, XLogP of -0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 54261132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).