N-(3-methylpiperidin-4-yl)oxane-3-sulfonamide

C11H22N2O3S — CID 120876535

IUPACN-(3-methylpiperidin-4-yl)oxane-3-sulfonamide
SMILESCC1CNCCC1NS(=O)(=O)C1CCCOC1
InChIInChI=1S/C11H22N2O3S/c1-9-7-12-5-4-11(9)13-17(14,15)10-3-2-6-16-8-10/h9-13H,2-8H2,1H3
InChIKeyPJOJCXAYLSSVBF-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.08
Rot. Bonds3

About N-(3-methylpiperidin-4-yl)oxane-3-sulfonamide

N-(3-methylpiperidin-4-yl)oxane-3-sulfonamide (PubChem CID 120876535) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)oxane-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)oxane-3-sulfonamide
PubChem CID120876535
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(3-methylpiperidin-4-yl)oxane-3-sulfonamide
SMILESCC1CNCCC1NS(=O)(=O)C1CCCOC1
InChIInChI=1S/C11H22N2O3S/c1-9-7-12-5-4-11(9)13-17(14,15)10-3-2-6-16-8-10/h9-13H,2-8H2,1H3
InChIKeyPJOJCXAYLSSVBF-UHFFFAOYSA-N
XLogP0.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-3-yl)pyrrolidine-3-sulfonamide
CID 65418986
N-(1-piperidin-3-ylethyl)oxane-3-sulfonamide
CID 119052630
(3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine
CID 99714412
N-propan-2-yloxane-3-sulfonamide
CID 130684869
N-methyloxane-3-sulfonamide
CID 69039393
N-(oxolan-3-yl)pyrrolidine-3-sulfonamide
CID 80714879
2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide
CID 79887328
3-methyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 130590092
(3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide
CID 129431135
N-(4-methylpiperidin-3-yl)-1-(oxolan-3-yl)methanesulfonamide
CID 120723080
(3R)-N-propan-2-yloxolane-3-sulfonamide
CID 97175132
3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride
CID 120724931

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)oxane-3-sulfonamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)oxane-3-sulfonamide (CID 120876535) is N-(3-methylpiperidin-4-yl)oxane-3-sulfonamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)oxane-3-sulfonamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)oxane-3-sulfonamide is CC1CNCCC1NS(=O)(=O)C1CCCOC1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)oxane-3-sulfonamide?
The InChIKey is PJOJCXAYLSSVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9-7-12-5-4-11(9)13-17(14,15)10-3-2-6-16-8-10/h9-13H,2-8H2,1H3.
What are the key properties of N-(3-methylpiperidin-4-yl)oxane-3-sulfonamide?
N-(3-methylpiperidin-4-yl)oxane-3-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)oxane-3-sulfonamide is sourced from PubChem (CID 120876535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).