[3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine

C12H20N4O2S — CID 55133508

IUPAC[3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCS(=O)(=O)N1CCN(Cc2cccnc2CN)CC1
InChIInChI=1S/C12H20N4O2S/c1-19(17,18)16-7-5-15(6-8-16)10-11-3-2-4-14-12(11)9-13/h2-4H,5-10,13H2,1H3
InChIKeyGJXUNXWVBILVJQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP-0.38
Rot. Bonds4

About [3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine

[3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 55133508) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is [3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
PubChem CID55133508
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name[3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCS(=O)(=O)N1CCN(Cc2cccnc2CN)CC1
InChIInChI=1S/C12H20N4O2S/c1-19(17,18)16-7-5-15(6-8-16)10-11-3-2-4-14-12(11)9-13/h2-4H,5-10,13H2,1H3
InChIKeyGJXUNXWVBILVJQ-UHFFFAOYSA-N
XLogP-0.38
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine (CID 55133508) is [3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine is CS(=O)(=O)N1CCN(Cc2cccnc2CN)CC1.
What is the InChIKey of [3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is GJXUNXWVBILVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-19(17,18)16-7-5-15(6-8-16)10-11-3-2-4-14-12(11)9-13/h2-4H,5-10,13H2,1H3.
What are the key properties of [3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine?
[3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine has a molecular weight of 284.38 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 [3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 55133508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).