[5-[1-(oxetan-3-yl)piperidin-4-yl]sulfonyl-2-pyridinyl]methanamine

C14H21N3O3S — CID 90012002

IUPAC[5-[1-(oxetan-3-yl)piperidin-4-yl]sulfonyl-2-pyridinyl]methanamine
SMILESNCc1ccc(S(=O)(=O)C2CCN(C3COC3)CC2)cn1
InChIInChI=1S/C14H21N3O3S/c15-7-11-1-2-14(8-16-11)21(18,19)13-3-5-17(6-4-13)12-9-20-10-12/h1-2,8,12-13H,3-7,9-10,15H2
InChIKeyBPYFPBBTBHLKKP-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.18
Rot. Bonds4

About [5-[1-(oxetan-3-yl)piperidin-4-yl]sulfonyl-2-pyridinyl]methanamine

[5-[1-(oxetan-3-yl)piperidin-4-yl]sulfonyl-2-pyridinyl]methanamine (PubChem CID 90012002) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is [5-[1-(oxetan-3-yl)piperidin-4-yl]sulfonyl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-[1-(oxetan-3-yl)piperidin-4-yl]sulfonyl-2-pyridinyl]methanamine
PubChem CID90012002
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name[5-[1-(oxetan-3-yl)piperidin-4-yl]sulfonyl-2-pyridinyl]methanamine
SMILESNCc1ccc(S(=O)(=O)C2CCN(C3COC3)CC2)cn1
InChIInChI=1S/C14H21N3O3S/c15-7-11-1-2-14(8-16-11)21(18,19)13-3-5-17(6-4-13)12-9-20-10-12/h1-2,8,12-13H,3-7,9-10,15H2
InChIKeyBPYFPBBTBHLKKP-UHFFFAOYSA-N
XLogP0.18
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[1-(oxetan-3-yl)piperidin-4-yl]sulfonyl-2-pyridinyl]methanamine?
The IUPAC name of [5-[1-(oxetan-3-yl)piperidin-4-yl]sulfonyl-2-pyridinyl]methanamine (CID 90012002) is [5-[1-(oxetan-3-yl)piperidin-4-yl]sulfonyl-2-pyridinyl]methanamine.
What is the SMILES notation for [5-[1-(oxetan-3-yl)piperidin-4-yl]sulfonyl-2-pyridinyl]methanamine?
The canonical SMILES for [5-[1-(oxetan-3-yl)piperidin-4-yl]sulfonyl-2-pyridinyl]methanamine is NCc1ccc(S(=O)(=O)C2CCN(C3COC3)CC2)cn1.
What is the InChIKey of [5-[1-(oxetan-3-yl)piperidin-4-yl]sulfonyl-2-pyridinyl]methanamine?
The InChIKey is BPYFPBBTBHLKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c15-7-11-1-2-14(8-16-11)21(18,19)13-3-5-17(6-4-13)12-9-20-10-12/h1-2,8,12-13H,3-7,9-10,15H2.
What are the key properties of [5-[1-(oxetan-3-yl)piperidin-4-yl]sulfonyl-2-pyridinyl]methanamine?
[5-[1-(oxetan-3-yl)piperidin-4-yl]sulfonyl-2-pyridinyl]methanamine has a molecular weight of 311.41 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(oxetan-3-yl)piperidin-4-yl]sulfonyl-2-pyridinyl]methanamine is sourced from PubChem (CID 90012002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).