N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

C19H22N4O3S — CID 2547568

IUPACN-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCCc2c[nH]c3ccccc23)nc1)N1CCOCC1
InChIInChI=1S/C19H22N4O3S/c24-27(25,23-9-11-26-12-10-23)16-5-6-19(22-14-16)20-8-7-15-13-21-18-4-2-1-3-17(15)18/h1-6,13-14,21H,7-12H2,(H,20,22)
InChIKeyDBINYGWFPCQJDI-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.24
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 2547568) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID2547568
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCCc2c[nH]c3ccccc23)nc1)N1CCOCC1
InChIInChI=1S/C19H22N4O3S/c24-27(25,23-9-11-26-12-10-23)16-5-6-19(22-14-16)20-8-7-15-13-21-18-4-2-1-3-17(15)18/h1-6,13-14,21H,7-12H2,(H,20,22)
InChIKeyDBINYGWFPCQJDI-UHFFFAOYSA-N
XLogP2.24
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 2547568) is N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(NCCc2c[nH]c3ccccc23)nc1)N1CCOCC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is DBINYGWFPCQJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c24-27(25,23-9-11-26-12-10-23)16-5-6-19(22-14-16)20-8-7-15-13-21-18-4-2-1-3-17(15)18/h1-6,13-14,21H,7-12H2,(H,20,22).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 386.48 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 2547568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).