2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide

C9H20N2O3S — CID 103512686

IUPAC2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide
SMILESCNC(C)CNC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-7(10-4)6-11-8(12)9(2,3)15(5,13)14/h7,10H,6H2,1-5H3,(H,11,12)
InChIKeyLXYBKCGMEYFMRB-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.47
Rot. Bonds5

About 2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide

2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide (PubChem CID 103512686) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide
PubChem CID103512686
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide
SMILESCNC(C)CNC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-7(10-4)6-11-8(12)9(2,3)15(5,13)14/h7,10H,6H2,1-5H3,(H,11,12)
InChIKeyLXYBKCGMEYFMRB-UHFFFAOYSA-N
XLogP-0.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloropentyl)-2-methyl-2-methylsulfonylpropanamide
CID 106129452
N-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide
CID 106156757
(2R)-3-hydroxy-2-[(2-methyl-2-methylsulfonylpropanoyl)amino]propanoic acid
CID 80750513
N-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide
CID 115364914
N-(3-iodopropyl)-2-methyl-2-methylsulfonylpropanamide
CID 114504386
N-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide
CID 114383819
2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829687
2-ethyl-2-[[(2-methyl-2-methylsulfonylpropanoyl)amino]methyl]butanoic acid
CID 115429761
N-(1-chloro-3-methylbutan-2-yl)-2-methyl-2-methylsulfonylpropanamide
CID 114305435
N-[(2R)-2-(ethylamino)propyl]-2,2-dimethylbutanamide
CID 120653493
N-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide
CID 79676240
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide
CID 107845591

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide?
The IUPAC name of 2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide (CID 103512686) is 2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for 2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide?
The canonical SMILES for 2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide is CNC(C)CNC(=O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide?
The InChIKey is LXYBKCGMEYFMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-7(10-4)6-11-8(12)9(2,3)15(5,13)14/h7,10H,6H2,1-5H3,(H,11,12).
What are the key properties of 2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide?
2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide has a molecular weight of 236.34 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 103512686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).