4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide

C13H25N3O3S — CID 106072866

IUPAC4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NC2CC3CCC2O3)CC1
InChIInChI=1S/C13H25N3O3S/c1-14-9-10-4-6-16(7-5-10)20(17,18)15-12-8-11-2-3-13(12)19-11/h10-15H,2-9H2,1H3
InChIKeyGEPFPRGITVVXDY-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.07
Rot. Bonds5

About 4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide

4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide (PubChem CID 106072866) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide
PubChem CID106072866
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NC2CC3CCC2O3)CC1
InChIInChI=1S/C13H25N3O3S/c1-14-9-10-4-6-16(7-5-10)20(17,18)15-12-8-11-2-3-13(12)19-11/h10-15H,2-9H2,1H3
InChIKeyGEPFPRGITVVXDY-UHFFFAOYSA-N
XLogP0.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106002916
N-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 127002266
N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide
CID 80601899
N-(3,3-dimethylcyclopentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 114552127
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174
N-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106073030
N-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine
CID 79672711
4-(methylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078188
N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106092792
N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106091032
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide
CID 115522886
4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093759

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide (CID 106072866) is 4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)NC2CC3CCC2O3)CC1.
What is the InChIKey of 4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide?
The InChIKey is GEPFPRGITVVXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-14-9-10-4-6-16(7-5-10)20(17,18)15-12-8-11-2-3-13(12)19-11/h10-15H,2-9H2,1H3.
What are the key properties of 4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide?
4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106072866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).