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

C14H23ClN2O3S — CID 102560405

IUPAC3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide;hydrochloride
SMILESCC(CS(C)(=O)=O)N(C)C(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/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;1H
InChIKeyINGZXZHGPDOZSG-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.39
Rot. Bonds6

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

3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide;hydrochloride (PubChem CID 102560405) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide;hydrochloride
PubChem CID102560405
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide;hydrochloride
SMILESCC(CS(C)(=O)=O)N(C)C(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/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;1H
InChIKeyINGZXZHGPDOZSG-UHFFFAOYSA-N
XLogP1.39
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 51.39
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
CID 102560406
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(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;hydrochloride
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CID 119949409
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-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
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
(3R)-3-amino-3-phenylpropanoic acid;methanesulfonic acid
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3-amino-3-phenylpropanoic acid;methanesulfonic acid
CID 87900838

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide;hydrochloride (CID 102560405) is 3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide;hydrochloride is CC(CS(C)(=O)=O)N(C)C(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide;hydrochloride?
The InChIKey is INGZXZHGPDOZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S.ClH/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;1H.
What are the key properties of 3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide;hydrochloride?
3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 1.39, 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;hydrochloride is sourced from PubChem (CID 102560405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).