N-[(1R)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-5-morpholin-4-ylpyridin-2-amine

C18H23N3O2S — CID 97337921

IUPACN-[(1R)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-5-morpholin-4-ylpyridin-2-amine
SMILESC[C@@H](Nc1ccc(N2CCOCC2)cn1)c1ccc([S@@](C)=O)cc1
InChIInChI=1S/C18H23N3O2S/c1-14(15-3-6-17(7-4-15)24(2)22)20-18-8-5-16(13-19-18)21-9-11-23-12-10-21/h3-8,13-14H,9-12H2,1-2H3,(H,19,20)/t14-,24-/m1/s1
InChIKeyFPSDBZPMAUGBTD-JBEBIEQOSA-N
MW345.47 g/mol
LogP2.83
Rot. Bonds5

About N-[(1R)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-5-morpholin-4-ylpyridin-2-amine

N-[(1R)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-5-morpholin-4-ylpyridin-2-amine (PubChem CID 97337921) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(1R)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-5-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-5-morpholin-4-ylpyridin-2-amine
PubChem CID97337921
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[(1R)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-5-morpholin-4-ylpyridin-2-amine
SMILESC[C@@H](Nc1ccc(N2CCOCC2)cn1)c1ccc([S@@](C)=O)cc1
InChIInChI=1S/C18H23N3O2S/c1-14(15-3-6-17(7-4-15)24(2)22)20-18-8-5-16(13-19-18)21-9-11-23-12-10-21/h3-8,13-14H,9-12H2,1-2H3,(H,19,20)/t14-,24-/m1/s1
InChIKeyFPSDBZPMAUGBTD-JBEBIEQOSA-N
XLogP2.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-morpholin-4-ylsulfonyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 9211241
N-[(4-methylsulfinylphenyl)methyl]-5-piperidin-1-ylpyridin-2-amine
CID 71914515
N-propan-2-yl-5-pyrrolidin-1-ylpyridin-2-amine
CID 115917830
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9195220
N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide
CID 134053190
N-[1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 84929926
N-ethyl-1-(5-morpholin-4-yl-2-pyridinyl)ethanamine
CID 83122280
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpyridin-2-amine
CID 90810476
1-(2-methylpropanoyl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide
CID 33448100
N-methylpropan-2-amine;4-(6-propan-2-yl-3-pyridinyl)morpholine
CID 156652466
N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]propan-1-amine
CID 83122279
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133350387

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-5-morpholin-4-ylpyridin-2-amine?
The IUPAC name of N-[(1R)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-5-morpholin-4-ylpyridin-2-amine (CID 97337921) is N-[(1R)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-5-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for N-[(1R)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-5-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for N-[(1R)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-5-morpholin-4-ylpyridin-2-amine is C[C@@H](Nc1ccc(N2CCOCC2)cn1)c1ccc([S@@](C)=O)cc1.
What is the InChIKey of N-[(1R)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-5-morpholin-4-ylpyridin-2-amine?
The InChIKey is FPSDBZPMAUGBTD-JBEBIEQOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14(15-3-6-17(7-4-15)24(2)22)20-18-8-5-16(13-19-18)21-9-11-23-12-10-21/h3-8,13-14H,9-12H2,1-2H3,(H,19,20)/t14-,24-/m1/s1.
What are the key properties of N-[(1R)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-5-morpholin-4-ylpyridin-2-amine?
N-[(1R)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-5-morpholin-4-ylpyridin-2-amine has a molecular weight of 345.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-5-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 97337921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).