[5-(oxetan-3-ylmethylsulfonyl)-2-pyridinyl]methanamine;hydrochloride

C10H15ClN2O3S — CID 142503496

IUPAC[5-(oxetan-3-ylmethylsulfonyl)-2-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(S(=O)(=O)CC2COC2)cn1
InChIInChI=1S/C10H14N2O3S.ClH/c11-3-9-1-2-10(4-12-9)16(13,14)7-8-5-15-6-8;/h1-2,4,8H,3,5-7,11H2;1H
InChIKeyJAROCEQQBXJOCL-UHFFFAOYSA-N
MW278.76 g/mol
LogP0.38
Rot. Bonds4

About [5-(oxetan-3-ylmethylsulfonyl)-2-pyridinyl]methanamine;hydrochloride

[5-(oxetan-3-ylmethylsulfonyl)-2-pyridinyl]methanamine;hydrochloride (PubChem CID 142503496) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is [5-(oxetan-3-ylmethylsulfonyl)-2-pyridinyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(oxetan-3-ylmethylsulfonyl)-2-pyridinyl]methanamine;hydrochloride
PubChem CID142503496
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC Name[5-(oxetan-3-ylmethylsulfonyl)-2-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(S(=O)(=O)CC2COC2)cn1
InChIInChI=1S/C10H14N2O3S.ClH/c11-3-9-1-2-10(4-12-9)16(13,14)7-8-5-15-6-8;/h1-2,4,8H,3,5-7,11H2;1H
InChIKeyJAROCEQQBXJOCL-UHFFFAOYSA-N
XLogP0.38
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(oxetan-3-ylmethylsulfonyl)-2-pyridinyl]methanamine;hydrochloride?
The IUPAC name of [5-(oxetan-3-ylmethylsulfonyl)-2-pyridinyl]methanamine;hydrochloride (CID 142503496) is [5-(oxetan-3-ylmethylsulfonyl)-2-pyridinyl]methanamine;hydrochloride.
What is the SMILES notation for [5-(oxetan-3-ylmethylsulfonyl)-2-pyridinyl]methanamine;hydrochloride?
The canonical SMILES for [5-(oxetan-3-ylmethylsulfonyl)-2-pyridinyl]methanamine;hydrochloride is Cl.NCc1ccc(S(=O)(=O)CC2COC2)cn1.
What is the InChIKey of [5-(oxetan-3-ylmethylsulfonyl)-2-pyridinyl]methanamine;hydrochloride?
The InChIKey is JAROCEQQBXJOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S.ClH/c11-3-9-1-2-10(4-12-9)16(13,14)7-8-5-15-6-8;/h1-2,4,8H,3,5-7,11H2;1H.
What are the key properties of [5-(oxetan-3-ylmethylsulfonyl)-2-pyridinyl]methanamine;hydrochloride?
[5-(oxetan-3-ylmethylsulfonyl)-2-pyridinyl]methanamine;hydrochloride has a molecular weight of 278.76 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxetan-3-ylmethylsulfonyl)-2-pyridinyl]methanamine;hydrochloride is sourced from PubChem (CID 142503496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).