N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

C21H29N3O3S — CID 9195220

IUPACN-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCC(C)Cc1ccc([C@@H](C)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C21H29N3O3S/c1-16(2)14-18-4-6-19(7-5-18)17(3)23-21-9-8-20(15-22-21)28(25,26)24-10-12-27-13-11-24/h4-9,15-17H,10-14H2,1-3H3,(H,22,23)/t17-/m1/s1
InChIKeyFJSLUBJWKFWJSS-QGZVFWFLSA-N
MW403.55 g/mol
LogP3.47
Rot. Bonds7

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

N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 9195220) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID9195220
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCC(C)Cc1ccc([C@@H](C)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C21H29N3O3S/c1-16(2)14-18-4-6-19(7-5-18)17(3)23-21-9-8-20(15-22-21)28(25,26)24-10-12-27-13-11-24/h4-9,15-17H,10-14H2,1-3H3,(H,22,23)/t17-/m1/s1
InChIKeyFJSLUBJWKFWJSS-QGZVFWFLSA-N
XLogP3.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.47
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-[1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 84929926
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133350387
N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9024142
5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
CID 9107195
N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 17401125
2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol
CID 55829205
N-[1-(4-chlorophenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 55501188
N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133287490
5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 55829884
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 9195220) is N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is CC(C)Cc1ccc([C@@H](C)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1.
What is the InChIKey of N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is FJSLUBJWKFWJSS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-16(2)14-18-4-6-19(7-5-18)17(3)23-21-9-8-20(15-22-21)28(25,26)24-10-12-27-13-11-24/h4-9,15-17H,10-14H2,1-3H3,(H,22,23)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 403.55 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 9195220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).