5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine

C20H27N3O3S — CID 9107195

IUPAC5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
SMILESCC(C)c1ccc(CCNc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C20H27N3O3S/c1-16(2)18-5-3-17(4-6-18)9-10-21-20-8-7-19(15-22-20)27(24,25)23-11-13-26-14-12-23/h3-8,15-16H,9-14H2,1-2H3,(H,21,22)
InChIKeyPYWACAJXMMOLSC-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.88
Rot. Bonds7

About 5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine

5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine (PubChem CID 9107195) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
PubChem CID9107195
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
SMILESCC(C)c1ccc(CCNc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C20H27N3O3S/c1-16(2)18-5-3-17(4-6-18)9-10-21-20-8-7-19(15-22-20)27(24,25)23-11-13-26-14-12-23/h3-8,15-16H,9-14H2,1-2H3,(H,21,22)
InChIKeyPYWACAJXMMOLSC-UHFFFAOYSA-N
XLogP2.88
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9024142
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9195220
5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 55829884
N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8565449
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine
CID 108775153
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133350387
N-[1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 84929926
N-[1-(4-chlorophenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 55501188
5-morpholin-4-ylsulfonyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 9211241

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine (CID 9107195) is 5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine is CC(C)c1ccc(CCNc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1.
What is the InChIKey of 5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine?
The InChIKey is PYWACAJXMMOLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-16(2)18-5-3-17(4-6-18)9-10-21-20-8-7-19(15-22-20)27(24,25)23-11-13-26-14-12-23/h3-8,15-16H,9-14H2,1-2H3,(H,21,22).
What are the key properties of 5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine?
5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine has a molecular weight of 389.52 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 9107195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).