[1-(oxan-4-ylsulfonyl)piperidin-2-yl]methanamine

C11H22N2O3S — CID 55031618

IUPAC[1-(oxan-4-ylsulfonyl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H22N2O3S/c12-9-10-3-1-2-6-13(10)17(14,15)11-4-7-16-8-5-11/h10-11H,1-9,12H2
InChIKeyIYNRYCGWHBWYOA-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.31
Rot. Bonds3

About [1-(oxan-4-ylsulfonyl)piperidin-2-yl]methanamine

[1-(oxan-4-ylsulfonyl)piperidin-2-yl]methanamine (PubChem CID 55031618) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is [1-(oxan-4-ylsulfonyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(oxan-4-ylsulfonyl)piperidin-2-yl]methanamine
PubChem CID55031618
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name[1-(oxan-4-ylsulfonyl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H22N2O3S/c12-9-10-3-1-2-6-13(10)17(14,15)11-4-7-16-8-5-11/h10-11H,1-9,12H2
InChIKeyIYNRYCGWHBWYOA-UHFFFAOYSA-N
XLogP0.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(oxan-4-ylsulfonyl)piperidin-2-yl]methanamine?
The IUPAC name of [1-(oxan-4-ylsulfonyl)piperidin-2-yl]methanamine (CID 55031618) is [1-(oxan-4-ylsulfonyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-(oxan-4-ylsulfonyl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-(oxan-4-ylsulfonyl)piperidin-2-yl]methanamine is NCC1CCCCN1S(=O)(=O)C1CCOCC1.
What is the InChIKey of [1-(oxan-4-ylsulfonyl)piperidin-2-yl]methanamine?
The InChIKey is IYNRYCGWHBWYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c12-9-10-3-1-2-6-13(10)17(14,15)11-4-7-16-8-5-11/h10-11H,1-9,12H2.
What are the key properties of [1-(oxan-4-ylsulfonyl)piperidin-2-yl]methanamine?
[1-(oxan-4-ylsulfonyl)piperidin-2-yl]methanamine has a molecular weight of 262.37 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-ylsulfonyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 55031618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).