[4-[1-(oxetan-3-yl)piperidin-4-yl]sulfonylphenyl]methanamine

C15H22N2O3S — CID 71817819

IUPAC[4-[1-(oxetan-3-yl)piperidin-4-yl]sulfonylphenyl]methanamine
SMILESNCc1ccc(S(=O)(=O)C2CCN(C3COC3)CC2)cc1
InChIInChI=1S/C15H22N2O3S/c16-9-12-1-3-14(4-2-12)21(18,19)15-5-7-17(8-6-15)13-10-20-11-13/h1-4,13,15H,5-11,16H2
InChIKeyLOLBGKXWYSXULS-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.78
Rot. Bonds4

About [4-[1-(oxetan-3-yl)piperidin-4-yl]sulfonylphenyl]methanamine

[4-[1-(oxetan-3-yl)piperidin-4-yl]sulfonylphenyl]methanamine (PubChem CID 71817819) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is [4-[1-(oxetan-3-yl)piperidin-4-yl]sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[4-[1-(oxetan-3-yl)piperidin-4-yl]sulfonylphenyl]methanamine
PubChem CID71817819
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name[4-[1-(oxetan-3-yl)piperidin-4-yl]sulfonylphenyl]methanamine
SMILESNCc1ccc(S(=O)(=O)C2CCN(C3COC3)CC2)cc1
InChIInChI=1S/C15H22N2O3S/c16-9-12-1-3-14(4-2-12)21(18,19)15-5-7-17(8-6-15)13-10-20-11-13/h1-4,13,15H,5-11,16H2
InChIKeyLOLBGKXWYSXULS-UHFFFAOYSA-N
XLogP0.78
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(oxetan-3-yl)piperidin-4-yl]sulfonylphenyl]methanamine?
The IUPAC name of [4-[1-(oxetan-3-yl)piperidin-4-yl]sulfonylphenyl]methanamine (CID 71817819) is [4-[1-(oxetan-3-yl)piperidin-4-yl]sulfonylphenyl]methanamine.
What is the SMILES notation for [4-[1-(oxetan-3-yl)piperidin-4-yl]sulfonylphenyl]methanamine?
The canonical SMILES for [4-[1-(oxetan-3-yl)piperidin-4-yl]sulfonylphenyl]methanamine is NCc1ccc(S(=O)(=O)C2CCN(C3COC3)CC2)cc1.
What is the InChIKey of [4-[1-(oxetan-3-yl)piperidin-4-yl]sulfonylphenyl]methanamine?
The InChIKey is LOLBGKXWYSXULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c16-9-12-1-3-14(4-2-12)21(18,19)15-5-7-17(8-6-15)13-10-20-11-13/h1-4,13,15H,5-11,16H2.
What are the key properties of [4-[1-(oxetan-3-yl)piperidin-4-yl]sulfonylphenyl]methanamine?
[4-[1-(oxetan-3-yl)piperidin-4-yl]sulfonylphenyl]methanamine has a molecular weight of 310.42 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(oxetan-3-yl)piperidin-4-yl]sulfonylphenyl]methanamine is sourced from PubChem (CID 71817819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).