[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methanamine;hydrochloride

C12H20ClN3O4S2 — CID 120999463

IUPAC[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(CN)CC2)cn1.Cl
InChIInChI=1S/C12H19N3O4S2.ClH/c1-20(16,17)12-3-2-11(9-14-12)21(18,19)15-6-4-10(8-13)5-7-15;/h2-3,9-10H,4-8,13H2,1H3;1H
InChIKeyGMFQERLYQWZGBT-UHFFFAOYSA-N
MW369.90 g/mol
LogP0.27
Rot. Bonds4

About [1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methanamine;hydrochloride

[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methanamine;hydrochloride (PubChem CID 120999463) has the molecular formula C12H20ClN3O4S2 and a molecular weight of 369.90 g/mol. Its IUPAC name is [1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methanamine;hydrochloride
PubChem CID120999463
Molecular FormulaC12H20ClN3O4S2
Molecular Weight369.90 g/mol
Exact Mass369.06
IUPAC Name[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(CN)CC2)cn1.Cl
InChIInChI=1S/C12H19N3O4S2.ClH/c1-20(16,17)12-3-2-11(9-14-12)21(18,19)15-6-4-10(8-13)5-7-15;/h2-3,9-10H,4-8,13H2,1H3;1H
InChIKeyGMFQERLYQWZGBT-UHFFFAOYSA-N
XLogP0.27
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methanamine;hydrochloride (CID 120999463) is [1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methanamine;hydrochloride is CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(CN)CC2)cn1.Cl.
What is the InChIKey of [1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is GMFQERLYQWZGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S2.ClH/c1-20(16,17)12-3-2-11(9-14-12)21(18,19)15-6-4-10(8-13)5-7-15;/h2-3,9-10H,4-8,13H2,1H3;1H.
What are the key properties of [1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methanamine;hydrochloride?
[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 369.90 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 120999463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).