N-[(3R)-1-(2-chloro-4-methylsulfanylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine

C21H27ClN4OS — CID 171539774

IUPACN-[(3R)-1-(2-chloro-4-methylsulfanylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine
SMILESCSc1ccc(N2CCC[C@@H](Nc3cc(N4CCOCC4)ccn3)C2)c(Cl)c1
InChIInChI=1S/C21H27ClN4OS/c1-28-18-4-5-20(19(22)14-18)26-8-2-3-16(15-26)24-21-13-17(6-7-23-21)25-9-11-27-12-10-25/h4-7,13-14,16H,2-3,8-12,15H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyISPQTDWMERYHDB-MRXNPFEDSA-N
MW418.99 g/mol
LogP4.37
Rot. Bonds5

About N-[(3R)-1-(2-chloro-4-methylsulfanylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine

N-[(3R)-1-(2-chloro-4-methylsulfanylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine (PubChem CID 171539774) has the molecular formula C21H27ClN4OS and a molecular weight of 418.99 g/mol. Its IUPAC name is N-[(3R)-1-(2-chloro-4-methylsulfanylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3R)-1-(2-chloro-4-methylsulfanylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine
PubChem CID171539774
Molecular FormulaC21H27ClN4OS
Molecular Weight418.99 g/mol
Exact Mass418.16
IUPAC NameN-[(3R)-1-(2-chloro-4-methylsulfanylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine
SMILESCSc1ccc(N2CCC[C@@H](Nc3cc(N4CCOCC4)ccn3)C2)c(Cl)c1
InChIInChI=1S/C21H27ClN4OS/c1-28-18-4-5-20(19(22)14-18)26-8-2-3-16(15-26)24-21-13-17(6-7-23-21)25-9-11-27-12-10-25/h4-7,13-14,16H,2-3,8-12,15H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyISPQTDWMERYHDB-MRXNPFEDSA-N
XLogP4.37
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.99
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine
CID 171540040
4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine
CID 171540161
N-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine
CID 171540297
4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine
CID 171540304
N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-morpholin-4-ylpyrimidin-4-amine
CID 162368315
4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine
CID 171540303
4-piperidin-1-yl-N-piperidin-3-ylpyridin-2-amine
CID 176995897
N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175649260
1-(2-chloro-4-methylsulfanylphenyl)-4-cyclopropylpiperazine
CID 138531687
1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid
CID 171540438
N-cycloheptyl-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912292
(E)-3-amino-N-(3-amino-3-oxopropyl)-2-methanimidoyl-3-naphthalen-1-ylprop-2-enamide;chlorobenzene;ethane;N-[1-(3-fluorophenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine;methanol
CID 176995941

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-chloro-4-methylsulfanylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine?
The IUPAC name of N-[(3R)-1-(2-chloro-4-methylsulfanylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine (CID 171539774) is N-[(3R)-1-(2-chloro-4-methylsulfanylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for N-[(3R)-1-(2-chloro-4-methylsulfanylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for N-[(3R)-1-(2-chloro-4-methylsulfanylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine is CSc1ccc(N2CCC[C@@H](Nc3cc(N4CCOCC4)ccn3)C2)c(Cl)c1.
What is the InChIKey of N-[(3R)-1-(2-chloro-4-methylsulfanylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine?
The InChIKey is ISPQTDWMERYHDB-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27ClN4OS/c1-28-18-4-5-20(19(22)14-18)26-8-2-3-16(15-26)24-21-13-17(6-7-23-21)25-9-11-27-12-10-25/h4-7,13-14,16H,2-3,8-12,15H2,1H3,(H,23,24)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-(2-chloro-4-methylsulfanylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine?
N-[(3R)-1-(2-chloro-4-methylsulfanylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine has a molecular weight of 418.99 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2-chloro-4-methylsulfanylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 171539774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).