N-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine

C14H24N4O2S — CID 106906497

IUPACN-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C14H24N4O2S/c1-3-15-11-13-5-4-6-14(16-13)12-17-7-9-18(10-8-17)21(2,19)20/h4-6,15H,3,7-12H2,1-2H3
InChIKeyWLCFYGSJBQPRNY-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.27
Rot. Bonds6

About N-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine

N-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine (PubChem CID 106906497) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
PubChem CID106906497
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C14H24N4O2S/c1-3-15-11-13-5-4-6-14(16-13)12-17-7-9-18(10-8-17)21(2,19)20/h4-6,15H,3,7-12H2,1-2H3
InChIKeyWLCFYGSJBQPRNY-UHFFFAOYSA-N
XLogP0.27
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine (CID 106906497) is N-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(CN2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of N-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
The InChIKey is WLCFYGSJBQPRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-15-11-13-5-4-6-14(16-13)12-17-7-9-18(10-8-17)21(2,19)20/h4-6,15H,3,7-12H2,1-2H3.
What are the key properties of N-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
N-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine has a molecular weight of 312.44 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106906497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).