[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone

C17H24N2O4S — CID 2889869

IUPAC[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H24N2O4S/c1-14-4-2-3-9-19(14)24(21,22)16-7-5-15(6-8-16)17(20)18-10-12-23-13-11-18/h5-8,14H,2-4,9-13H2,1H3
InChIKeyYPISVIJNWSGIAB-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.72
Rot. Bonds3

About [4-(2-methylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone

[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone (PubChem CID 2889869) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is [4-(2-methylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone
PubChem CID2889869
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H24N2O4S/c1-14-4-2-3-9-19(14)24(21,22)16-7-5-15(6-8-16)17(20)18-10-12-23-13-11-18/h5-8,14H,2-4,9-13H2,1H3
InChIKeyYPISVIJNWSGIAB-UHFFFAOYSA-N
XLogP1.72
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2-methylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone (CID 2889869) is [4-(2-methylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2-methylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2-methylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone is CC1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of [4-(2-methylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone?
The InChIKey is YPISVIJNWSGIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-14-4-2-3-9-19(14)24(21,22)16-7-5-15(6-8-16)17(20)18-10-12-23-13-11-18/h5-8,14H,2-4,9-13H2,1H3.
What are the key properties of [4-(2-methylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone?
[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone has a molecular weight of 352.46 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2889869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).