N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]methanesulfonamide

C11H22N2O3S — CID 50978116

IUPACN-[1-(oxolan-3-ylmethyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(CC2CCOC2)CC1
InChIInChI=1S/C11H22N2O3S/c1-17(14,15)12-11-2-5-13(6-3-11)8-10-4-7-16-9-10/h10-12H,2-9H2,1H3
InChIKeyVQHUSAGXEREVGK-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.04
Rot. Bonds4

About N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]methanesulfonamide

N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]methanesulfonamide (PubChem CID 50978116) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(oxolan-3-ylmethyl)piperidin-4-yl]methanesulfonamide
PubChem CID50978116
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[1-(oxolan-3-ylmethyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(CC2CCOC2)CC1
InChIInChI=1S/C11H22N2O3S/c1-17(14,15)12-11-2-5-13(6-3-11)8-10-4-7-16-9-10/h10-12H,2-9H2,1H3
InChIKeyVQHUSAGXEREVGK-UHFFFAOYSA-N
XLogP0.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]methanesulfonamide (CID 50978116) is N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(CC2CCOC2)CC1.
What is the InChIKey of N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is VQHUSAGXEREVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-17(14,15)12-11-2-5-13(6-3-11)8-10-4-7-16-9-10/h10-12H,2-9H2,1H3.
What are the key properties of N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]methanesulfonamide?
N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 50978116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).