(2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide

C12H16N2O3S — CID 103308493

IUPAC(2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide
SMILESN[C@H](Cc1ccccc1)C(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C12H16N2O3S/c13-11(8-9-4-2-1-3-5-9)12(15)14-18(16,17)10-6-7-10/h1-5,10-11H,6-8,13H2,(H,14,15)/t11-/m1/s1
InChIKeyBHNWIJGXPSKJNP-LLVKDONJSA-N
MW268.34 g/mol
LogP0.16
Rot. Bonds5

About (2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide

(2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide (PubChem CID 103308493) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is (2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide
PubChem CID103308493
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name(2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide
SMILESN[C@H](Cc1ccccc1)C(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C12H16N2O3S/c13-11(8-9-4-2-1-3-5-9)12(15)14-18(16,17)10-6-7-10/h1-5,10-11H,6-8,13H2,(H,14,15)/t11-/m1/s1
InChIKeyBHNWIJGXPSKJNP-LLVKDONJSA-N
XLogP0.16
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-cyclopropylsulfonyl-3-(4-prop-2-enoxyphenyl)propanamide
CID 90122451
2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287725
(2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287274
2-amino-N-ethylsulfonyl-3-phenylpropanamide
CID 103307138
(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide
CID 61248190
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride
CID 119277305
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide
CID 63297211
(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
CID 107221661

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide (CID 103308493) is (2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide is N[C@H](Cc1ccccc1)C(=O)NS(=O)(=O)C1CC1.
What is the InChIKey of (2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide?
The InChIKey is BHNWIJGXPSKJNP-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N2O3S/c13-11(8-9-4-2-1-3-5-9)12(15)14-18(16,17)10-6-7-10/h1-5,10-11H,6-8,13H2,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide?
(2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide has a molecular weight of 268.34 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide is sourced from PubChem (CID 103308493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).