4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine

C17H26N2O3S — CID 18135081

IUPAC4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
SMILESCC1CCCN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1
InChIInChI=1S/C17H26N2O3S/c1-15-4-3-7-18(13-15)14-16-5-2-6-17(12-16)23(20,21)19-8-10-22-11-9-19/h2,5-6,12,15H,3-4,7-11,13-14H2,1H3
InChIKeyPVTGZRRVQHIRTP-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.94
Rot. Bonds4

About 4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine

4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine (PubChem CID 18135081) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
PubChem CID18135081
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
SMILESCC1CCCN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1
InChIInChI=1S/C17H26N2O3S/c1-15-4-3-7-18(13-15)14-16-5-2-6-17(12-16)23(20,21)19-8-10-22-11-9-19/h2,5-6,12,15H,3-4,7-11,13-14H2,1H3
InChIKeyPVTGZRRVQHIRTP-UHFFFAOYSA-N
XLogP1.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(3-methylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009339
4-[3-[(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]sulfonylmorpholine
CID 167008516
2,6-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine
CID 18135067
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307366
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 94119670
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine
CID 42955058
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone
CID 30961426
(3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
CID 92865689
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55715197

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine (CID 18135081) is 4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine is CC1CCCN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1.
What is the InChIKey of 4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The InChIKey is PVTGZRRVQHIRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-15-4-3-7-18(13-15)14-16-5-2-6-17(12-16)23(20,21)19-8-10-22-11-9-19/h2,5-6,12,15H,3-4,7-11,13-14H2,1H3.
What are the key properties of 4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine?
4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine has a molecular weight of 338.47 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 18135081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).