N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

C22H31N3O3S — CID 9024142

IUPACN-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCCCc1ccc([C@@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)C(C)C)cc1
InChIInChI=1S/C22H31N3O3S/c1-4-5-18-6-8-19(9-7-18)22(17(2)3)24-21-11-10-20(16-23-21)29(26,27)25-12-14-28-15-13-25/h6-11,16-17,22H,4-5,12-15H2,1-3H3,(H,23,24)/t22-/m0/s1
InChIKeyKGKLYERKPSFYLW-QFIPXVFZSA-N
MW417.58 g/mol
LogP3.86
Rot. Bonds8

About N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 9024142) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID9024142
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC NameN-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCCCc1ccc([C@@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)C(C)C)cc1
InChIInChI=1S/C22H31N3O3S/c1-4-5-18-6-8-19(9-7-18)22(17(2)3)24-21-11-10-20(16-23-21)29(26,27)25-12-14-28-15-13-25/h6-11,16-17,22H,4-5,12-15H2,1-3H3,(H,23,24)/t22-/m0/s1
InChIKeyKGKLYERKPSFYLW-QFIPXVFZSA-N
XLogP3.86
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9195220
5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
CID 9107195
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
N-[1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 84929926
N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 17401125
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 55829884
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133350387
N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol
CID 55829205

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 9024142) is N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is CCCc1ccc([C@@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)C(C)C)cc1.
What is the InChIKey of N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is KGKLYERKPSFYLW-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-4-5-18-6-8-19(9-7-18)22(17(2)3)24-21-11-10-20(16-23-21)29(26,27)25-12-14-28-15-13-25/h6-11,16-17,22H,4-5,12-15H2,1-3H3,(H,23,24)/t22-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 417.58 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 9024142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).