2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]propane-2-sulfonamide

C13H22N4O2S — CID 21498706

IUPAC2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]propane-2-sulfonamide
SMILESCN1CCN(c2ncccc2C(C)(C)S(N)(=O)=O)CC1
InChIInChI=1S/C13H22N4O2S/c1-13(2,20(14,18)19)11-5-4-6-15-12(11)17-9-7-16(3)8-10-17/h4-6H,7-10H2,1-3H3,(H2,14,18,19)
InChIKeyFBNFNMANNBOWQT-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.36
Rot. Bonds3

About 2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]propane-2-sulfonamide

2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]propane-2-sulfonamide (PubChem CID 21498706) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]propane-2-sulfonamide
PubChem CID21498706
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]propane-2-sulfonamide
SMILESCN1CCN(c2ncccc2C(C)(C)S(N)(=O)=O)CC1
InChIInChI=1S/C13H22N4O2S/c1-13(2,20(14,18)19)11-5-4-6-15-12(11)17-9-7-16(3)8-10-17/h4-6H,7-10H2,1-3H3,(H2,14,18,19)
InChIKeyFBNFNMANNBOWQT-UHFFFAOYSA-N
XLogP0.36
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]propane-2-sulfonamide?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]propane-2-sulfonamide (CID 21498706) is 2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]propane-2-sulfonamide.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]propane-2-sulfonamide?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]propane-2-sulfonamide is CN1CCN(c2ncccc2C(C)(C)S(N)(=O)=O)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]propane-2-sulfonamide?
The InChIKey is FBNFNMANNBOWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-13(2,20(14,18)19)11-5-4-6-15-12(11)17-9-7-16(3)8-10-17/h4-6H,7-10H2,1-3H3,(H2,14,18,19).
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]propane-2-sulfonamide?
2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]propane-2-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]propane-2-sulfonamide is sourced from PubChem (CID 21498706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).