2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine

C21H27N3O3S — CID 47983366

IUPAC2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine
SMILESCC1CN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC(c2ccccc2)O1
InChIInChI=1S/C21H27N3O3S/c1-17-15-23(16-20(27-17)18-8-4-2-5-9-18)21-11-10-19(14-22-21)28(25,26)24-12-6-3-7-13-24/h2,4-5,8-11,14,17,20H,3,6-7,12-13,15-16H2,1H3
InChIKeyFSZOBNGTYJRZGK-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.22
Rot. Bonds4

About 2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine

2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine (PubChem CID 47983366) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine.

Molecular Properties

Compound Name2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine
PubChem CID47983366
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine
SMILESCC1CN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC(c2ccccc2)O1
InChIInChI=1S/C21H27N3O3S/c1-17-15-23(16-20(27-17)18-8-4-2-5-9-18)21-11-10-19(14-22-21)28(25,26)24-12-6-3-7-13-24/h2,4-5,8-11,14,17,20H,3,6-7,12-13,15-16H2,1H3
InChIKeyFSZOBNGTYJRZGK-UHFFFAOYSA-N
XLogP3.22
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
CID 7042964
1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
CID 122064558
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-sulfonic acid
CID 87659829
1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]sulfonylazepane
CID 24606772
4-benzyl-5-methyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 133332497
(3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927781
(2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone
CID 47913591
1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-4-phenylazepane
CID 133286681
[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 52535688
(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927782
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine
CID 133341841

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine?
The IUPAC name of 2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine (CID 47983366) is 2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine.
What is the SMILES notation for 2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine?
The canonical SMILES for 2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine is CC1CN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC(c2ccccc2)O1.
What is the InChIKey of 2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine?
The InChIKey is FSZOBNGTYJRZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-17-15-23(16-20(27-17)18-8-4-2-5-9-18)21-11-10-19(14-22-21)28(25,26)24-12-6-3-7-13-24/h2,4-5,8-11,14,17,20H,3,6-7,12-13,15-16H2,1H3.
What are the key properties of 2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine?
2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine has a molecular weight of 401.53 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine is sourced from PubChem (CID 47983366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).