[1-(benzenesulfonyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C18H26N2O4S — CID 2930168

IUPAC[1-(benzenesulfonyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC(C)O1
InChIInChI=1S/C18H26N2O4S/c1-14-12-19(13-15(2)24-14)18(21)16-8-10-20(11-9-16)25(22,23)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3
InChIKeyMCSUGGUPIOLQBC-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.72
Rot. Bonds3

About [1-(benzenesulfonyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[1-(benzenesulfonyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 2930168) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID2930168
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name[1-(benzenesulfonyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC(C)O1
InChIInChI=1S/C18H26N2O4S/c1-14-12-19(13-15(2)24-14)18(21)16-8-10-20(11-9-16)25(22,23)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3
InChIKeyMCSUGGUPIOLQBC-UHFFFAOYSA-N
XLogP1.72
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 2930168) is [1-(benzenesulfonyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC(C)O1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is MCSUGGUPIOLQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14-12-19(13-15(2)24-14)18(21)16-8-10-20(11-9-16)25(22,23)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3.
What are the key properties of [1-(benzenesulfonyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[1-(benzenesulfonyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 366.48 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 [1-(benzenesulfonyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 2930168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).