N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C18H32N6O2S — CID 133293070

IUPACN-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCC(CN1CCN(C)CC1)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C18H32N6O2S/c1-16(15-23-10-6-21(2)7-11-23)20-18-5-4-17(14-19-18)27(25,26)24-12-8-22(3)9-13-24/h4-5,14,16H,6-13,15H2,1-3H3,(H,19,20)
InChIKeyKYJUQPCSDVVDMS-UHFFFAOYSA-N
MW396.56 g/mol
LogP0.07
Rot. Bonds6

About N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 133293070) has the molecular formula C18H32N6O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID133293070
Molecular FormulaC18H32N6O2S
Molecular Weight396.56 g/mol
Exact Mass396.23
IUPAC NameN-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCC(CN1CCN(C)CC1)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C18H32N6O2S/c1-16(15-23-10-6-21(2)7-11-23)20-18-5-4-17(14-19-18)27(25,26)24-12-8-22(3)9-13-24/h4-5,14,16H,6-13,15H2,1-3H3,(H,19,20)
InChIKeyKYJUQPCSDVVDMS-UHFFFAOYSA-N
XLogP0.07
TPSA72.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine
CID 133307271
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine
CID 55431920
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
N-[1-(2,3-dichlorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133307787
N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 2485199
3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol
CID 133490784
N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62149616
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 5268226
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
N-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55521187
5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 55519421
N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133277663

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 133293070) is N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is CC(CN1CCN(C)CC1)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is KYJUQPCSDVVDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2S/c1-16(15-23-10-6-21(2)7-11-23)20-18-5-4-17(14-19-18)27(25,26)24-12-8-22(3)9-13-24/h4-5,14,16H,6-13,15H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 396.56 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 133293070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).