4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine

C16H24N2O3S — CID 110284722

IUPAC4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine
SMILESO=S(=O)(c1ccccc1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C16H24N2O3S/c19-22(20,16-4-2-1-3-5-16)18-8-6-15(7-9-18)14-17-10-12-21-13-11-17/h1-5,15H,6-14H2
InChIKeyZJNUMASIGUAGQU-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.42
Rot. Bonds4

About 4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine

4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine (PubChem CID 110284722) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine
PubChem CID110284722
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine
SMILESO=S(=O)(c1ccccc1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C16H24N2O3S/c19-22(20,16-4-2-1-3-5-16)18-8-6-15(7-9-18)14-17-10-12-21-13-11-17/h1-5,15H,6-14H2
InChIKeyZJNUMASIGUAGQU-UHFFFAOYSA-N
XLogP1.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine 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

4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 60540053
4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine
CID 110284728
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
[(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 72886667
(3aS,6aR)-5-(benzenesulfonyl)-2-(cyclopentylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97401920
4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 651778
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 110284731
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
3-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylaniline
CID 58765512
2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone
CID 110353774

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine (CID 110284722) is 4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine is O=S(=O)(c1ccccc1)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine?
The InChIKey is ZJNUMASIGUAGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c19-22(20,16-4-2-1-3-5-16)18-8-6-15(7-9-18)14-17-10-12-21-13-11-17/h1-5,15H,6-14H2.
What are the key properties of 4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine?
4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine has a molecular weight of 324.45 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 110284722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).