N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide

C13H22N4O2S — CID 113025882

IUPACN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(N2CCN(C)CC2)cn1
InChIInChI=1S/C13H22N4O2S/c1-3-10-20(18,19)15-13-5-4-12(11-14-13)17-8-6-16(2)7-9-17/h4-5,11H,3,6-10H2,1-2H3,(H,14,15)
InChIKeyIDLJLPDCNULYIK-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.99
Rot. Bonds5

About N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide

N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide (PubChem CID 113025882) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide
PubChem CID113025882
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(N2CCN(C)CC2)cn1
InChIInChI=1S/C13H22N4O2S/c1-3-10-20(18,19)15-13-5-4-12(11-14-13)17-8-6-16(2)7-9-17/h4-5,11H,3,6-10H2,1-2H3,(H,14,15)
InChIKeyIDLJLPDCNULYIK-UHFFFAOYSA-N
XLogP0.99
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113030836
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113035669
2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025926
ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
CID 113029329
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine
CID 142567302
5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
CID 113025912
2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025891
N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide
CID 113035788
4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025897
N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113021072
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpyridin-2-amine
CID 90810476
4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025908

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide (CID 113025882) is N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(N2CCN(C)CC2)cn1.
What is the InChIKey of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide?
The InChIKey is IDLJLPDCNULYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-10-20(18,19)15-13-5-4-12(11-14-13)17-8-6-16(2)7-9-17/h4-5,11H,3,6-10H2,1-2H3,(H,14,15).
What are the key properties of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide?
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 113025882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).