2-methyl-3-[(2-methylsulfonylacetyl)amino]propanamide

C7H14N2O4S — CID 87739302

IUPAC2-methyl-3-[(2-methylsulfonylacetyl)amino]propanamide
SMILESCC(CNC(=O)CS(C)(=O)=O)C(N)=O
InChIInChI=1S/C7H14N2O4S/c1-5(7(8)11)3-9-6(10)4-14(2,12)13/h5H,3-4H2,1-2H3,(H2,8,11)(H,9,10)
InChIKeyZKMDRDYWBFFTSI-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.73
Rot. Bonds5

About 2-methyl-3-[(2-methylsulfonylacetyl)amino]propanamide

2-methyl-3-[(2-methylsulfonylacetyl)amino]propanamide (PubChem CID 87739302) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylsulfonylacetyl)amino]propanamide.

Molecular Properties

Compound Name2-methyl-3-[(2-methylsulfonylacetyl)amino]propanamide
PubChem CID87739302
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name2-methyl-3-[(2-methylsulfonylacetyl)amino]propanamide
SMILESCC(CNC(=O)CS(C)(=O)=O)C(N)=O
InChIInChI=1S/C7H14N2O4S/c1-5(7(8)11)3-9-6(10)4-14(2,12)13/h5H,3-4H2,1-2H3,(H2,8,11)(H,9,10)
InChIKeyZKMDRDYWBFFTSI-UHFFFAOYSA-N
XLogP-1.73
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propanoyltaurine
CID 172407762
(2S)-2-methyl-N-(2-methylsulfonylethyl)-3-sulfanylpropanamide
CID 72947097
3-[Dimethyl-[3-(2-methylpropanoylamino)propyl]azaniumyl]propane-1-sulfonate
CID 57941901
N-(3-amino-2,2-difluoropropyl)-2-methylsulfonylpropanamide
CID 114383450
3-(2-Methylpropanoylamino)propane-1-sulfonic acid
CID 9803314
beta-Alanyl-taurine
CID 9815549
3-Acetamido-2-methylpropane-1-sulfonic acid
CID 9877631
CID 9881137
CID 9881137
3-[(3-Amino-1-oxopropyl)amino]-1-propanesulfonic acid
CID 13146353
3-Acetamido-2-methylpropane-1-sulfonate
CID 17907941
3-(2-Methylpropanoylamino)propane-1-sulfonate
CID 17907958
ZINC 3-(2-methylpropanoylamino)propane-1-sulfonate
CID 18671115

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methylsulfonylacetyl)amino]propanamide?
The IUPAC name of 2-methyl-3-[(2-methylsulfonylacetyl)amino]propanamide (CID 87739302) is 2-methyl-3-[(2-methylsulfonylacetyl)amino]propanamide.
What is the SMILES notation for 2-methyl-3-[(2-methylsulfonylacetyl)amino]propanamide?
The canonical SMILES for 2-methyl-3-[(2-methylsulfonylacetyl)amino]propanamide is CC(CNC(=O)CS(C)(=O)=O)C(N)=O.
What is the InChIKey of 2-methyl-3-[(2-methylsulfonylacetyl)amino]propanamide?
The InChIKey is ZKMDRDYWBFFTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-5(7(8)11)3-9-6(10)4-14(2,12)13/h5H,3-4H2,1-2H3,(H2,8,11)(H,9,10).
What are the key properties of 2-methyl-3-[(2-methylsulfonylacetyl)amino]propanamide?
2-methyl-3-[(2-methylsulfonylacetyl)amino]propanamide has a molecular weight of 222.27 g/mol, XLogP of -1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylsulfonylacetyl)amino]propanamide is sourced from PubChem (CID 87739302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).