[1-(benzenesulfonyl)piperidin-4-yl]-morpholin-4-ylmethanone

C16H22N2O4S — CID 802533

IUPAC[1-(benzenesulfonyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C16H22N2O4S/c19-16(17-10-12-22-13-11-17)14-6-8-18(9-7-14)23(20,21)15-4-2-1-3-5-15/h1-5,14H,6-13H2
InChIKeyDCTPIPAJHXUMMJ-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.95
Rot. Bonds3

About [1-(benzenesulfonyl)piperidin-4-yl]-morpholin-4-ylmethanone

[1-(benzenesulfonyl)piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 802533) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID802533
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name[1-(benzenesulfonyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C16H22N2O4S/c19-16(17-10-12-22-13-11-17)14-6-8-18(9-7-14)23(20,21)15-4-2-1-3-5-15/h1-5,14H,6-13H2
InChIKeyDCTPIPAJHXUMMJ-UHFFFAOYSA-N
XLogP0.95
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(benzenesulfonyl)piperidin-4-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(Phenylsulfonyl)-4-piperidinyl](piperidino)methanone
CID 1084367
ethyl 1-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]piperidine-4-carboxylate
CID 5845050
N,N-diethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 92463235
N,N-diethyl-4-[(3R)-3-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365390
[1-(Phenylsulfonyl)piperidin-3-yl](piperidin-1-yl)methanone
CID 2931939
1-Benzenesulfonyl-piperidine-4-carboxylic acid ([1,4]dioxan-2-ylmethyl)-amide
CID 645869
[1-(2,5-Dichloro-benzenesulfonyl)-piperidin-4-yl]-morpholin-4-yl-methanone
CID 1078684
1-[1-(Benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 1084370
4-({1-[(4-Bromophenyl)sulfonyl]-3-piperidinyl}carbonyl)morpholine
CID 2967643
(E)-1-(2,6-dimethylpiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one
CID 6020328
{1-[(4-Fluorophenyl)sulfonyl]piperidin-3-yl}(morpholin-4-yl)methanone
CID 6488366
[1-(Benzenesulfonyl)cyclopent-3-en-1-yl]-morpholin-4-ylmethanone
CID 24819500

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-morpholin-4-ylmethanone (CID 802533) is [1-(benzenesulfonyl)piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCOCC1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is DCTPIPAJHXUMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c19-16(17-10-12-22-13-11-17)14-6-8-18(9-7-14)23(20,21)15-4-2-1-3-5-15/h1-5,14H,6-13H2.
What are the key properties of [1-(benzenesulfonyl)piperidin-4-yl]-morpholin-4-ylmethanone?
[1-(benzenesulfonyl)piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 338.43 g/mol, XLogP of 0.95, 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 802533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).