N-[[4-[(R)-methylsulfinyl]phenyl]methyl]-2-morpholin-4-ylpyridin-3-amine

C17H21N3O2S — CID 97326501

IUPACN-[[4-[(R)-methylsulfinyl]phenyl]methyl]-2-morpholin-4-ylpyridin-3-amine
SMILESC[S@@](=O)c1ccc(CNc2cccnc2N2CCOCC2)cc1
InChIInChI=1S/C17H21N3O2S/c1-23(21)15-6-4-14(5-7-15)13-19-16-3-2-8-18-17(16)20-9-11-22-12-10-20/h2-8,19H,9-13H2,1H3/t23-/m1/s1
InChIKeyHWZUAOIGRJHBPU-HSZRJFAPSA-N
MW331.44 g/mol
LogP2.27
Rot. Bonds5

About N-[[4-[(R)-methylsulfinyl]phenyl]methyl]-2-morpholin-4-ylpyridin-3-amine

N-[[4-[(R)-methylsulfinyl]phenyl]methyl]-2-morpholin-4-ylpyridin-3-amine (PubChem CID 97326501) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[[4-[(R)-methylsulfinyl]phenyl]methyl]-2-morpholin-4-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[[4-[(R)-methylsulfinyl]phenyl]methyl]-2-morpholin-4-ylpyridin-3-amine
PubChem CID97326501
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[[4-[(R)-methylsulfinyl]phenyl]methyl]-2-morpholin-4-ylpyridin-3-amine
SMILESC[S@@](=O)c1ccc(CNc2cccnc2N2CCOCC2)cc1
InChIInChI=1S/C17H21N3O2S/c1-23(21)15-6-4-14(5-7-15)13-19-16-3-2-8-18-17(16)20-9-11-22-12-10-20/h2-8,19H,9-13H2,1H3/t23-/m1/s1
InChIKeyHWZUAOIGRJHBPU-HSZRJFAPSA-N
XLogP2.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine
CID 75432030
N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2-morpholin-4-ylpyridin-3-amine
CID 99704978
4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol
CID 43676426
N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine
CID 75388335
2-morpholin-4-yl-N-[(2-phenyl-1H-imidazol-5-yl)methyl]pyridin-3-amine
CID 86780943
3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)propanamide
CID 60576563
3-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-nitroaniline
CID 122142010
2-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline
CID 43229589
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-3-pyridinyl)urea
CID 51124920
2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-3-pyridinyl)acetamide
CID 75405128
2-methyl-3-(methylamino)-N-(2-morpholin-4-yl-3-pyridinyl)propanamide;dihydrochloride
CID 119845852
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(R)-methylsulfinyl]phenyl]methyl]-2-morpholin-4-ylpyridin-3-amine?
The IUPAC name of N-[[4-[(R)-methylsulfinyl]phenyl]methyl]-2-morpholin-4-ylpyridin-3-amine (CID 97326501) is N-[[4-[(R)-methylsulfinyl]phenyl]methyl]-2-morpholin-4-ylpyridin-3-amine.
What is the SMILES notation for N-[[4-[(R)-methylsulfinyl]phenyl]methyl]-2-morpholin-4-ylpyridin-3-amine?
The canonical SMILES for N-[[4-[(R)-methylsulfinyl]phenyl]methyl]-2-morpholin-4-ylpyridin-3-amine is C[S@@](=O)c1ccc(CNc2cccnc2N2CCOCC2)cc1.
What is the InChIKey of N-[[4-[(R)-methylsulfinyl]phenyl]methyl]-2-morpholin-4-ylpyridin-3-amine?
The InChIKey is HWZUAOIGRJHBPU-HSZRJFAPSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-23(21)15-6-4-14(5-7-15)13-19-16-3-2-8-18-17(16)20-9-11-22-12-10-20/h2-8,19H,9-13H2,1H3/t23-/m1/s1.
What are the key properties of N-[[4-[(R)-methylsulfinyl]phenyl]methyl]-2-morpholin-4-ylpyridin-3-amine?
N-[[4-[(R)-methylsulfinyl]phenyl]methyl]-2-morpholin-4-ylpyridin-3-amine has a molecular weight of 331.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(R)-methylsulfinyl]phenyl]methyl]-2-morpholin-4-ylpyridin-3-amine is sourced from PubChem (CID 97326501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).