(2R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylpropanamide

C12H18N2O4S — CID 154152303

IUPAC(2R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylpropanamide
SMILESCCCc1ccc(S(=O)(=O)[C@](N)(CO)C(N)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-2-3-9-4-6-10(7-5-9)19(17,18)12(14,8-15)11(13)16/h4-7,15H,2-3,8,14H2,1H3,(H2,13,16)/t12-/m1/s1
InChIKeyWPNHTJYYAYDCQB-GFCCVEGCSA-N
MW286.35 g/mol
LogP-0.45
Rot. Bonds6

About (2R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylpropanamide

(2R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylpropanamide (PubChem CID 154152303) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is (2R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylpropanamide
PubChem CID154152303
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name(2R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylpropanamide
SMILESCCCc1ccc(S(=O)(=O)[C@](N)(CO)C(N)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-2-3-9-4-6-10(7-5-9)19(17,18)12(14,8-15)11(13)16/h4-7,15H,2-3,8,14H2,1H3,(H2,13,16)/t12-/m1/s1
InChIKeyWPNHTJYYAYDCQB-GFCCVEGCSA-N
XLogP-0.45
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 154126143
N,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]propanamide
CID 11681020
(2S)-N,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]propanamide
CID 16128624
2-Amino-2-(4-methylphenyl)sulfonylpropanoic acid
CID 21466952
2,3-Diamino-2-(4-methylphenyl)sulfonylpropanoic acid
CID 21471730
2,3-Diamino-2-(4-propan-2-ylphenyl)sulfonylpropanoic acid
CID 22991801
2,3-Diamino-2-(4-propylphenyl)sulfonylpropanoic acid
CID 22991812
3-Hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 67647085
2,3-Diamino-3-(4-propylphenyl)sulfonylpropanoic acid
CID 70070880
3-Hydroxypropanamide;4-methylbenzenesulfonic acid
CID 87716017
3-Hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]propanamide
CID 87749254
(2R)-2-amino-N,3-dihydroxy-2-(4-phenylphenyl)sulfonylpropanamide
CID 143175692

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylpropanamide?
The IUPAC name of (2R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylpropanamide (CID 154152303) is (2R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylpropanamide.
What is the SMILES notation for (2R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylpropanamide?
The canonical SMILES for (2R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylpropanamide is CCCc1ccc(S(=O)(=O)[C@](N)(CO)C(N)=O)cc1.
What is the InChIKey of (2R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylpropanamide?
The InChIKey is WPNHTJYYAYDCQB-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-2-3-9-4-6-10(7-5-9)19(17,18)12(14,8-15)11(13)16/h4-7,15H,2-3,8,14H2,1H3,(H2,13,16)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylpropanamide?
(2R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylpropanamide has a molecular weight of 286.35 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylpropanamide is sourced from PubChem (CID 154152303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).