(R)-N-[(2R,3R)-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-2-methylpropane-2-sulfinamide

C21H30N2O3S — CID 140879439

IUPAC(R)-N-[(2R,3R)-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCO[C@@H](COCc1ccccc1)[C@@H](Cc1ccccn1)N[S@](=O)C(C)(C)C
InChIInChI=1S/C21H30N2O3S/c1-21(2,3)27(24)23-19(14-18-12-8-9-13-22-18)20(25-4)16-26-15-17-10-6-5-7-11-17/h5-13,19-20,23H,14-16H2,1-4H3/t19-,20+,27-/m1/s1
InChIKeyUIJDIZBHIWWJOL-IOKPGSKQSA-N
MW390.55 g/mol
LogP3.28
Rot. Bonds10

About (R)-N-[(2R,3R)-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(2R,3R)-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 140879439) has the molecular formula C21H30N2O3S and a molecular weight of 390.55 g/mol. Its IUPAC name is (R)-N-[(2R,3R)-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(2R,3R)-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID140879439
Molecular FormulaC21H30N2O3S
Molecular Weight390.55 g/mol
Exact Mass390.20
IUPAC Name(R)-N-[(2R,3R)-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCO[C@@H](COCc1ccccc1)[C@@H](Cc1ccccn1)N[S@](=O)C(C)(C)C
InChIInChI=1S/C21H30N2O3S/c1-21(2,3)27(24)23-19(14-18-12-8-9-13-22-18)20(25-4)16-26-15-17-10-6-5-7-11-17/h5-13,19-20,23H,14-16H2,1-4H3/t19-,20+,27-/m1/s1
InChIKeyUIJDIZBHIWWJOL-IOKPGSKQSA-N
XLogP3.28
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (R)-N-[(2R,3R)-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-2-methylpropane-2-sulfinamide 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

(R)-N-[(2R,4S)-4-hydroxy-1-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide
CID 140879318
3-methoxy-N-methyl-1-pyridin-2-ylpentan-2-amine
CID 116715417
(R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
CID 122491235
(2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol
CID 10467398
(R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide
CID 11231808
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide
CID 102512777
2-(2-methoxy-3,3-dimethylbutyl)pyridine
CID 86130938
(2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 140879411
N-[(2R)-5-[dimethyl(phenyl)silyl]-1-phenylmethoxypenta-3,4-dien-2-yl]-2-methylpropane-2-sulfinamide
CID 122209826
1-methoxy-N-methyl-1-phenyl-3-pyridin-2-ylpropan-2-amine
CID 116772512
methyl (3R,4S)-3-[[(R)-tert-butylsulfinyl]amino]-4-phenylmethoxypentanoate
CID 11427817
(2R)-N-benzyl-1-pyridin-2-ylpropan-2-amine
CID 125422187

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(2R,3R)-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(2R,3R)-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-2-methylpropane-2-sulfinamide (CID 140879439) is (R)-N-[(2R,3R)-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(2R,3R)-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(2R,3R)-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-2-methylpropane-2-sulfinamide is CO[C@@H](COCc1ccccc1)[C@@H](Cc1ccccn1)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(2R,3R)-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is UIJDIZBHIWWJOL-IOKPGSKQSA-N. The full InChI is InChI=1S/C21H30N2O3S/c1-21(2,3)27(24)23-19(14-18-12-8-9-13-22-18)20(25-4)16-26-15-17-10-6-5-7-11-17/h5-13,19-20,23H,14-16H2,1-4H3/t19-,20+,27-/m1/s1.
What are the key properties of (R)-N-[(2R,3R)-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(2R,3R)-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 390.55 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(2R,3R)-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 140879439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).