(2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide

C10H14N2O3S — CID 103287274

IUPAC(2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide
SMILESCS(=O)(=O)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C10H14N2O3S/c1-16(14,15)12-10(13)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyOMEXBARTDSXSIO-VIFPVBQESA-N
MW242.30 g/mol
LogP-0.37
Rot. Bonds4

About (2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide

(2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide (PubChem CID 103287274) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is (2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide
PubChem CID103287274
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name(2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide
SMILESCS(=O)(=O)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C10H14N2O3S/c1-16(14,15)12-10(13)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyOMEXBARTDSXSIO-VIFPVBQESA-N
XLogP-0.37
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287725
2-amino-N-ethylsulfonyl-3-phenylpropanamide
CID 103307138
(2R)-2-amino-3-(4-fluorophenyl)-N-methylsulfonylpropanamide;hydrochloride
CID 166436303
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide
CID 103308493
(2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide
CID 63865578
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid
CID 22867971
2-amino-N-ethoxy-3-phenylpropanamide
CID 64974799
(2S)-2-amino-N-ethoxy-3-phenylpropanamide
CID 64974630
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide (CID 103287274) is (2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide is CS(=O)(=O)NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide?
The InChIKey is OMEXBARTDSXSIO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-16(14,15)12-10(13)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide?
(2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide has a molecular weight of 242.30 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide is sourced from PubChem (CID 103287274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).