5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine

C20H27N3O4S — CID 55829884

IUPAC5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
SMILESCC(C)OCc1ccc(CNc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C20H27N3O4S/c1-16(2)27-15-18-5-3-17(4-6-18)13-21-20-8-7-19(14-22-20)28(24,25)23-9-11-26-12-10-23/h3-8,14,16H,9-13,15H2,1-2H3,(H,21,22)
InChIKeyARSXCEJHJBBTTJ-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.64
Rot. Bonds8

About 5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine

5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine (PubChem CID 55829884) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
PubChem CID55829884
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
SMILESCC(C)OCc1ccc(CNc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C20H27N3O4S/c1-16(2)27-15-18-5-3-17(4-6-18)13-21-20-8-7-19(14-22-20)28(24,25)23-9-11-26-12-10-23/h3-8,14,16H,9-13,15H2,1-2H3,(H,21,22)
InChIKeyARSXCEJHJBBTTJ-UHFFFAOYSA-N
XLogP2.64
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine with MolForge

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Related Compounds

5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
CID 9107195
methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate
CID 9112932
2-chloro-5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55798204
N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281619
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 55638539
N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9195220
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133406165
N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9024142
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine
CID 133380160

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine (CID 55829884) is 5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine is CC(C)OCc1ccc(CNc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1.
What is the InChIKey of 5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine?
The InChIKey is ARSXCEJHJBBTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-16(2)27-15-18-5-3-17(4-6-18)13-21-20-8-7-19(14-22-20)28(24,25)23-9-11-26-12-10-23/h3-8,14,16H,9-13,15H2,1-2H3,(H,21,22).
What are the key properties of 5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine?
5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine has a molecular weight of 405.52 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 55829884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).