4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide

C11H22N2O3S — CID 46958597

IUPAC4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCC2(C)COC2)CC1
InChIInChI=1S/C11H22N2O3S/c1-10-3-5-13(6-4-10)17(14,15)12-7-11(2)8-16-9-11/h10,12H,3-9H2,1-2H3
InChIKeyILZUHGHTWYZZGN-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.59
Rot. Bonds4

About 4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide

4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide (PubChem CID 46958597) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide
PubChem CID46958597
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCC2(C)COC2)CC1
InChIInChI=1S/C11H22N2O3S/c1-10-3-5-13(6-4-10)17(14,15)12-7-11(2)8-16-9-11/h10,12H,3-9H2,1-2H3
InChIKeyILZUHGHTWYZZGN-UHFFFAOYSA-N
XLogP0.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide (CID 46958597) is 4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NCC2(C)COC2)CC1.
What is the InChIKey of 4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is ILZUHGHTWYZZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-10-3-5-13(6-4-10)17(14,15)12-7-11(2)8-16-9-11/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide?
4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 46958597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).