5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine

C18H24N4O2S — CID 55346524

IUPAC5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(NCCc3ccccc3)nc2)CC1
InChIInChI=1S/C18H24N4O2S/c1-21-11-13-22(14-12-21)25(23,24)17-7-8-18(20-15-17)19-10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,19,20)
InChIKeyMOBNGXCUXUXZPM-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.67
Rot. Bonds6

About 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine

5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine (PubChem CID 55346524) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
PubChem CID55346524
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(NCCc3ccccc3)nc2)CC1
InChIInChI=1S/C18H24N4O2S/c1-21-11-13-22(14-12-21)25(23,24)17-7-8-18(20-15-17)19-10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,19,20)
InChIKeyMOBNGXCUXUXZPM-UHFFFAOYSA-N
XLogP1.67
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-2-phenylbutan-2-ol
CID 133495668
5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine
CID 55433927
2-N,2-N-dimethyl-1-N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-3-phenylpropane-1,2-diamine
CID 55346850
5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine
CID 55465237
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 55365489
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133347670
N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322
5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
CID 9107195
N-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine
CID 70304486
N-[(1-methoxycyclobutyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133459900
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133405566

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine (CID 55346524) is 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine is CN1CCN(S(=O)(=O)c2ccc(NCCc3ccccc3)nc2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine?
The InChIKey is MOBNGXCUXUXZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-21-11-13-22(14-12-21)25(23,24)17-7-8-18(20-15-17)19-10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,19,20).
What are the key properties of 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine?
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine has a molecular weight of 360.48 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 55346524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).