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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Related Compounds

1-cyclopropylsulfonyl-2-methylpiperidin-4-amine
CID 115312667
(2R,5S)-5-methyl-1-(oxan-4-ylsulfonyl)-2-propan-2-ylazepane
CID 97317273
[4-methyl-1-(oxan-4-ylsulfonyl)piperazin-2-yl]methanamine
CID 80505945
(2R,4S)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]-2-methylpiperidin-4-amine
CID 124692066
2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine
CID 115312556
2,4-dimethyl-1-piperidin-4-ylsulfonylpiperidine
CID 62332373
(2R,4S)-1-(2-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylpiperidin-4-amine
CID 124692062
2-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
CID 83059283
2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine
CID 115312594
(2R,4R)-2-methyl-4-(2-methylphenyl)-1-(oxan-4-ylsulfonyl)pyrrolidine
CID 95632917
1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742365
2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine
CID 113284464

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).