3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide

C14H22N2O3S — CID 102560406

IUPAC3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide
SMILESCC(CS(C)(=O)=O)N(C)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-11(10-20(3,18)19)16(2)14(17)9-13(15)12-7-5-4-6-8-12/h4-8,11,13H,9-10,15H2,1-3H3
InChIKeyAMSBTOJPYHRJTI-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.97
Rot. Bonds6

About 3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide

3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide (PubChem CID 102560406) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide
PubChem CID102560406
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide
SMILESCC(CS(C)(=O)=O)N(C)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-11(10-20(3,18)19)16(2)14(17)9-13(15)12-7-5-4-6-8-12/h4-8,11,13H,9-10,15H2,1-3H3
InChIKeyAMSBTOJPYHRJTI-UHFFFAOYSA-N
XLogP0.97
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide;hydrochloride
CID 102560405
3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950260
(3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide
CID 99601037
3-amino-N-(4-ethylsulfanylbutan-2-yl)-N-methyl-3-phenylpropanamide
CID 119952431
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
3-amino-N-(4-ethylsulfanylbutan-2-yl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119952430
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride
CID 119949409
3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride
CID 119952076
2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid
CID 61160864
3-amino-3-phenylpropanoic acid;methanesulfonic acid
CID 87900838
(3R)-3-amino-3-phenylpropanoic acid;methanesulfonic acid
CID 87900954

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide (CID 102560406) is 3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide is CC(CS(C)(=O)=O)N(C)C(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide?
The InChIKey is AMSBTOJPYHRJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(10-20(3,18)19)16(2)14(17)9-13(15)12-7-5-4-6-8-12/h4-8,11,13H,9-10,15H2,1-3H3.
What are the key properties of 3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide?
3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide has a molecular weight of 298.41 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 102560406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).