2-methyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine

C11H22N2O3S — CID 115312474

IUPAC2-methyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine
SMILESCC1CC(N)CCN1S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H22N2O3S/c1-9-8-10(12)2-5-13(9)17(14,15)11-3-6-16-7-4-11/h9-11H,2-8,12H2,1H3
InChIKeyARIZDQIFKVLIHR-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.31
Rot. Bonds2

About 2-methyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine

2-methyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine (PubChem CID 115312474) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-methyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine
PubChem CID115312474
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-methyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine
SMILESCC1CC(N)CCN1S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H22N2O3S/c1-9-8-10(12)2-5-13(9)17(14,15)11-3-6-16-7-4-11/h9-11H,2-8,12H2,1H3
InChIKeyARIZDQIFKVLIHR-UHFFFAOYSA-N
XLogP0.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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 2-methyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine?
The IUPAC name of 2-methyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine (CID 115312474) is 2-methyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 2-methyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine?
The canonical SMILES for 2-methyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine is CC1CC(N)CCN1S(=O)(=O)C1CCOCC1.
What is the InChIKey of 2-methyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine?
The InChIKey is ARIZDQIFKVLIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9-8-10(12)2-5-13(9)17(14,15)11-3-6-16-7-4-11/h9-11H,2-8,12H2,1H3.
What are the key properties of 2-methyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine?
2-methyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine has a molecular weight of 262.37 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 115312474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).