N-[3-(methoxymethyl)piperidin-4-yl]methanesulfonamide

C8H18N2O3S — CID 167138260

IUPACN-[3-(methoxymethyl)piperidin-4-yl]methanesulfonamide
SMILESCOCC1CNCCC1NS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-13-6-7-5-9-4-3-8(7)10-14(2,11)12/h7-10H,3-6H2,1-2H3
InChIKeyPSOVHVKTUWOXIA-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.84
Rot. Bonds4

About N-[3-(methoxymethyl)piperidin-4-yl]methanesulfonamide

N-[3-(methoxymethyl)piperidin-4-yl]methanesulfonamide (PubChem CID 167138260) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[3-(methoxymethyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)piperidin-4-yl]methanesulfonamide
PubChem CID167138260
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-[3-(methoxymethyl)piperidin-4-yl]methanesulfonamide
SMILESCOCC1CNCCC1NS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-13-6-7-5-9-4-3-8(7)10-14(2,11)12/h7-10H,3-6H2,1-2H3
InChIKeyPSOVHVKTUWOXIA-UHFFFAOYSA-N
XLogP-0.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[3-(methoxymethyl)piperidin-4-yl]methanesulfonamide (CID 167138260) is N-[3-(methoxymethyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(methoxymethyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[3-(methoxymethyl)piperidin-4-yl]methanesulfonamide is COCC1CNCCC1NS(C)(=O)=O.
What is the InChIKey of N-[3-(methoxymethyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is PSOVHVKTUWOXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-13-6-7-5-9-4-3-8(7)10-14(2,11)12/h7-10H,3-6H2,1-2H3.
What are the key properties of N-[3-(methoxymethyl)piperidin-4-yl]methanesulfonamide?
N-[3-(methoxymethyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 167138260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).