N-methyl-N-(1-methylsulfonylethyl)propanamide

C7H15NO3S — CID 173145957

IUPACN-methyl-N-(1-methylsulfonylethyl)propanamide
SMILESCCC(=O)N(C)C(C)S(C)(=O)=O
InChIInChI=1S/C7H15NO3S/c1-5-7(9)8(3)6(2)12(4,10)11/h6H,5H2,1-4H3
InChIKeyOKGJAJOJQWRTNA-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.25
Rot. Bonds3

About N-methyl-N-(1-methylsulfonylethyl)propanamide

N-methyl-N-(1-methylsulfonylethyl)propanamide (PubChem CID 173145957) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfonylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfonylethyl)propanamide
PubChem CID173145957
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC NameN-methyl-N-(1-methylsulfonylethyl)propanamide
SMILESCCC(=O)N(C)C(C)S(C)(=O)=O
InChIInChI=1S/C7H15NO3S/c1-5-7(9)8(3)6(2)12(4,10)11/h6H,5H2,1-4H3
InChIKeyOKGJAJOJQWRTNA-UHFFFAOYSA-N
XLogP0.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide
CID 159278816
N-methyl-N-(1-oxopropan-2-yl)propanamide
CID 19757607
N-[1-(ethylamino)ethyl]-N-methylpropanamide
CID 139891854
propan-2-yl 2-[methyl(propanoyl)amino]propanoate
CID 134504961
N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717
ethyl (2S)-2-methylsulfonylpropanoate
CID 93493008
ethane;N-(1-fluoro-1-hydroxybutan-2-yl)-N-methylpropanamide
CID 142147176
N-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide
CID 63297028
2-(dimethylamino)propanoic acid;ethanesulfonic acid
CID 90221086
N-methyl-N-(2-methylbutanethioyl)propanamide
CID 155185491
N-ethanethioyl-N-propan-2-ylpropanamide
CID 175620978
N-(2-bromopropyl)-N-methylpropanamide
CID 80665081

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfonylethyl)propanamide?
The IUPAC name of N-methyl-N-(1-methylsulfonylethyl)propanamide (CID 173145957) is N-methyl-N-(1-methylsulfonylethyl)propanamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfonylethyl)propanamide?
The canonical SMILES for N-methyl-N-(1-methylsulfonylethyl)propanamide is CCC(=O)N(C)C(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(1-methylsulfonylethyl)propanamide?
The InChIKey is OKGJAJOJQWRTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-5-7(9)8(3)6(2)12(4,10)11/h6H,5H2,1-4H3.
What are the key properties of N-methyl-N-(1-methylsulfonylethyl)propanamide?
N-methyl-N-(1-methylsulfonylethyl)propanamide has a molecular weight of 193.27 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfonylethyl)propanamide is sourced from PubChem (CID 173145957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).