2-(3,4-dimethylpiperazin-1-yl)sulfonylpyridin-3-amine

C11H18N4O2S — CID 103306013

IUPAC2-(3,4-dimethylpiperazin-1-yl)sulfonylpyridin-3-amine
SMILESCC1CN(S(=O)(=O)c2ncccc2N)CCN1C
InChIInChI=1S/C11H18N4O2S/c1-9-8-15(7-6-14(9)2)18(16,17)11-10(12)4-3-5-13-11/h3-5,9H,6-8,12H2,1-2H3
InChIKeyIHEJOKRTSVBMMK-UHFFFAOYSA-N
MW270.36 g/mol
LogP-0.01
Rot. Bonds2

About 2-(3,4-dimethylpiperazin-1-yl)sulfonylpyridin-3-amine

2-(3,4-dimethylpiperazin-1-yl)sulfonylpyridin-3-amine (PubChem CID 103306013) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)sulfonylpyridin-3-amine.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)sulfonylpyridin-3-amine
PubChem CID103306013
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)sulfonylpyridin-3-amine
SMILESCC1CN(S(=O)(=O)c2ncccc2N)CCN1C
InChIInChI=1S/C11H18N4O2S/c1-9-8-15(7-6-14(9)2)18(16,17)11-10(12)4-3-5-13-11/h3-5,9H,6-8,12H2,1-2H3
InChIKeyIHEJOKRTSVBMMK-UHFFFAOYSA-N
XLogP-0.01
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)sulfonylpyridin-3-amine?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)sulfonylpyridin-3-amine (CID 103306013) is 2-(3,4-dimethylpiperazin-1-yl)sulfonylpyridin-3-amine.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)sulfonylpyridin-3-amine?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)sulfonylpyridin-3-amine is CC1CN(S(=O)(=O)c2ncccc2N)CCN1C.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)sulfonylpyridin-3-amine?
The InChIKey is IHEJOKRTSVBMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-9-8-15(7-6-14(9)2)18(16,17)11-10(12)4-3-5-13-11/h3-5,9H,6-8,12H2,1-2H3.
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)sulfonylpyridin-3-amine?
2-(3,4-dimethylpiperazin-1-yl)sulfonylpyridin-3-amine has a molecular weight of 270.36 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)sulfonylpyridin-3-amine is sourced from PubChem (CID 103306013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).