(3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide

C14H22N2OS — CID 99601037

IUPAC(3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide
SMILESCSC[C@H](C)N(C)C(=O)C[C@H](N)c1ccccc1
InChIInChI=1S/C14H22N2OS/c1-11(10-18-3)16(2)14(17)9-13(15)12-7-5-4-6-8-12/h4-8,11,13H,9-10,15H2,1-3H3/t11-,13-/m0/s1
InChIKeyIYUJSZNBUGBYBB-AAEUAGOBSA-N
MW266.41 g/mol
LogP2.29
Rot. Bonds6

About (3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide

(3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide (PubChem CID 99601037) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is (3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide
PubChem CID99601037
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name(3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide
SMILESCSC[C@H](C)N(C)C(=O)C[C@H](N)c1ccccc1
InChIInChI=1S/C14H22N2OS/c1-11(10-18-3)16(2)14(17)9-13(15)12-7-5-4-6-8-12/h4-8,11,13H,9-10,15H2,1-3H3/t11-,13-/m0/s1
InChIKeyIYUJSZNBUGBYBB-AAEUAGOBSA-N
XLogP2.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950260
3-amino-N-(4-ethylsulfanylbutan-2-yl)-N-methyl-3-phenylpropanamide
CID 119952431
3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide
CID 102560406
3-amino-N-(4-ethylsulfanylbutan-2-yl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119952430
3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide;hydrochloride
CID 102560405
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
3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride
CID 119949409
3-amino-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 60947587
2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid
CID 61160864
4-[methyl(1-methylsulfanylpropan-2-yl)amino]-4-oxobutanoic acid
CID 112555224

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide?
The IUPAC name of (3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide (CID 99601037) is (3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide?
The canonical SMILES for (3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide is CSC[C@H](C)N(C)C(=O)C[C@H](N)c1ccccc1.
What is the InChIKey of (3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide?
The InChIKey is IYUJSZNBUGBYBB-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(10-18-3)16(2)14(17)9-13(15)12-7-5-4-6-8-12/h4-8,11,13H,9-10,15H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of (3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide?
(3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide has a molecular weight of 266.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 99601037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).