N-(1-benzylpiperidin-3-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine

C21H28N4O3S — CID 60503346

IUPACN-(1-benzylpiperidin-3-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NC2CCCN(Cc3ccccc3)C2)nc1)N1CCOCC1
InChIInChI=1S/C21H28N4O3S/c26-29(27,25-11-13-28-14-12-25)20-8-9-21(22-15-20)23-19-7-4-10-24(17-19)16-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,19H,4,7,10-14,16-17H2,(H,22,23)
InChIKeyGDDMSXVUMPVVMG-UHFFFAOYSA-N
MW416.55 g/mol
LogP2.18
Rot. Bonds6

About N-(1-benzylpiperidin-3-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine

N-(1-benzylpiperidin-3-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 60503346) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID60503346
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC NameN-(1-benzylpiperidin-3-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NC2CCCN(Cc3ccccc3)C2)nc1)N1CCOCC1
InChIInChI=1S/C21H28N4O3S/c26-29(27,25-11-13-28-14-12-25)20-8-9-21(22-15-20)23-19-7-4-10-24(17-19)16-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,19H,4,7,10-14,16-17H2,(H,22,23)
InChIKeyGDDMSXVUMPVVMG-UHFFFAOYSA-N
XLogP2.18
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethylpiperidin-4-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8566045
N-cyclohex-3-en-1-yl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133322670
3-[6-[[(3R)-1-benzylpiperidin-3-yl]amino]-3-pyridinyl]prop-2-enoic acid
CID 68962344
N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9311729
4-[4-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 170669176
N-[(1-methylpiperidin-3-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133430518
(E)-3-[6-[[(3R)-1-benzylpiperidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 87637103
5-morpholin-4-ylsulfonyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 9211241
5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine
CID 47018135
N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281619
N-cyclopent-3-en-1-yl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133362074
4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 18135081

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 60503346) is N-(1-benzylpiperidin-3-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(NC2CCCN(Cc3ccccc3)C2)nc1)N1CCOCC1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is GDDMSXVUMPVVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c26-29(27,25-11-13-28-14-12-25)20-8-9-21(22-15-20)23-19-7-4-10-24(17-19)16-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,19H,4,7,10-14,16-17H2,(H,22,23).
What are the key properties of N-(1-benzylpiperidin-3-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-(1-benzylpiperidin-3-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 416.55 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 60503346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).