[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]methanamine

C11H22N2O3S — CID 55226095

IUPAC[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C11H22N2O3S/c12-8-10-3-5-13(6-4-10)17(14,15)9-11-2-1-7-16-11/h10-11H,1-9,12H2
InChIKeyQINDXCPUMCXMFB-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.17
Rot. Bonds4

About [1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]methanamine

[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]methanamine (PubChem CID 55226095) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is [1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]methanamine
PubChem CID55226095
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C11H22N2O3S/c12-8-10-3-5-13(6-4-10)17(14,15)9-11-2-1-7-16-11/h10-11H,1-9,12H2
InChIKeyQINDXCPUMCXMFB-UHFFFAOYSA-N
XLogP0.17
TPSA72.63 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 ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]methanamine (CID 55226095) is [1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]methanamine is NCC1CCN(S(=O)(=O)CC2CCCO2)CC1.
What is the InChIKey of [1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]methanamine?
The InChIKey is QINDXCPUMCXMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c12-8-10-3-5-13(6-4-10)17(14,15)9-11-2-1-7-16-11/h10-11H,1-9,12H2.
What are the key properties of [1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]methanamine?
[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]methanamine has a molecular weight of 262.37 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 55226095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).