6-(4-cyclopropylsulfonylpiperazin-1-yl)pyridin-3-amine

C12H18N4O2S — CID 64554066

IUPAC6-(4-cyclopropylsulfonylpiperazin-1-yl)pyridin-3-amine
SMILESNc1ccc(N2CCN(S(=O)(=O)C3CC3)CC2)nc1
InChIInChI=1S/C12H18N4O2S/c13-10-1-4-12(14-9-10)15-5-7-16(8-6-15)19(17,18)11-2-3-11/h1,4,9,11H,2-3,5-8,13H2
InChIKeyPSVHUNDFQAVNJD-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.28
Rot. Bonds3

About 6-(4-cyclopropylsulfonylpiperazin-1-yl)pyridin-3-amine

6-(4-cyclopropylsulfonylpiperazin-1-yl)pyridin-3-amine (PubChem CID 64554066) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 6-(4-cyclopropylsulfonylpiperazin-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(4-cyclopropylsulfonylpiperazin-1-yl)pyridin-3-amine
PubChem CID64554066
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name6-(4-cyclopropylsulfonylpiperazin-1-yl)pyridin-3-amine
SMILESNc1ccc(N2CCN(S(=O)(=O)C3CC3)CC2)nc1
InChIInChI=1S/C12H18N4O2S/c13-10-1-4-12(14-9-10)15-5-7-16(8-6-15)19(17,18)11-2-3-11/h1,4,9,11H,2-3,5-8,13H2
InChIKeyPSVHUNDFQAVNJD-UHFFFAOYSA-N
XLogP0.28
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-cyclopropylsulfonylpiperazin-1-yl)pyridin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylsulfonylpiperazin-1-yl)pyridin-3-amine?
The IUPAC name of 6-(4-cyclopropylsulfonylpiperazin-1-yl)pyridin-3-amine (CID 64554066) is 6-(4-cyclopropylsulfonylpiperazin-1-yl)pyridin-3-amine.
What is the SMILES notation for 6-(4-cyclopropylsulfonylpiperazin-1-yl)pyridin-3-amine?
The canonical SMILES for 6-(4-cyclopropylsulfonylpiperazin-1-yl)pyridin-3-amine is Nc1ccc(N2CCN(S(=O)(=O)C3CC3)CC2)nc1.
What is the InChIKey of 6-(4-cyclopropylsulfonylpiperazin-1-yl)pyridin-3-amine?
The InChIKey is PSVHUNDFQAVNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c13-10-1-4-12(14-9-10)15-5-7-16(8-6-15)19(17,18)11-2-3-11/h1,4,9,11H,2-3,5-8,13H2.
What are the key properties of 6-(4-cyclopropylsulfonylpiperazin-1-yl)pyridin-3-amine?
6-(4-cyclopropylsulfonylpiperazin-1-yl)pyridin-3-amine has a molecular weight of 282.37 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylsulfonylpiperazin-1-yl)pyridin-3-amine is sourced from PubChem (CID 64554066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).