1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium

C14H24N4O2S+2 — CID 2450884

IUPAC1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium
SMILESC[NH+]1CCN(S(=O)(=O)c2ccc(N3CCCC3)[nH+]c2)CC1
InChIInChI=1S/C14H22N4O2S/c1-16-8-10-18(11-9-16)21(19,20)13-4-5-14(15-12-13)17-6-2-3-7-17/h4-5,12H,2-3,6-11H2,1H3/p+2
InChIKeyPKFIGYCKYPLEBW-UHFFFAOYSA-P
MW312.44 g/mol
LogP-1.38
Rot. Bonds3

About 1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium

1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium (PubChem CID 2450884) has the molecular formula C14H24N4O2S+2 and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium.

Molecular Properties

Compound Name1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium
PubChem CID2450884
Molecular FormulaC14H24N4O2S+2
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium
SMILESC[NH+]1CCN(S(=O)(=O)c2ccc(N3CCCC3)[nH+]c2)CC1
InChIInChI=1S/C14H22N4O2S/c1-16-8-10-18(11-9-16)21(19,20)13-4-5-14(15-12-13)17-6-2-3-7-17/h4-5,12H,2-3,6-11H2,1H3/p+2
InChIKeyPKFIGYCKYPLEBW-UHFFFAOYSA-P
XLogP-1.38
TPSA59.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium 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

2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium
CID 9196184
4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine
CID 9196183
N,N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide
CID 7044022
2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol
CID 9282203
N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine
CID 9453718
1-[(E)-3-phenylprop-2-enyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium
CID 9310868
6-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)pyridin-1-ium-3-sulfonamide
CID 2122276
2-(4-methylpiperazin-4-ium-1-yl)sulfonylanthracene-9,10-dione
CID 7074376
2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium
CID 2118390
4-[6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine
CID 9172535
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146
1-methyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-1-ium
CID 2574894

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium?
The IUPAC name of 1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium (CID 2450884) is 1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium.
What is the SMILES notation for 1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium?
The canonical SMILES for 1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium is C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCCC3)[nH+]c2)CC1.
What is the InChIKey of 1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium?
The InChIKey is PKFIGYCKYPLEBW-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H22N4O2S/c1-16-8-10-18(11-9-16)21(19,20)13-4-5-14(15-12-13)17-6-2-3-7-17/h4-5,12H,2-3,6-11H2,1H3/p+2.
What are the key properties of 1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium?
1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium has a molecular weight of 312.44 g/mol, XLogP of -1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium is sourced from PubChem (CID 2450884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).