1-butylsulfonyl-2-pyridin-3-ylpiperazine

C13H21N3O2S — CID 120763713

IUPAC1-butylsulfonyl-2-pyridin-3-ylpiperazine
SMILESCCCCS(=O)(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C13H21N3O2S/c1-2-3-9-19(17,18)16-8-7-15-11-13(16)12-5-4-6-14-10-12/h4-6,10,13,15H,2-3,7-9,11H2,1H3
InChIKeyVXKOGXQQVARYPO-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.16
Rot. Bonds5

About 1-butylsulfonyl-2-pyridin-3-ylpiperazine

1-butylsulfonyl-2-pyridin-3-ylpiperazine (PubChem CID 120763713) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-butylsulfonyl-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-butylsulfonyl-2-pyridin-3-ylpiperazine
PubChem CID120763713
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name1-butylsulfonyl-2-pyridin-3-ylpiperazine
SMILESCCCCS(=O)(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C13H21N3O2S/c1-2-3-9-19(17,18)16-8-7-15-11-13(16)12-5-4-6-14-10-12/h4-6,10,13,15H,2-3,7-9,11H2,1H3
InChIKeyVXKOGXQQVARYPO-UHFFFAOYSA-N
XLogP1.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-butylsulfonyl-2-pyridin-3-ylpiperazine 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

N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide
CID 120764052
1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763847
1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine
CID 120763880
1-[(4-bromophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763556
2-pentylsulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731933
1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine
CID 120763826
1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763986
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763498
1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120876698
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282
1-[4-(methylsulfonylmethyl)phenyl]sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763550

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-butylsulfonyl-2-pyridin-3-ylpiperazine (CID 120763713) is 1-butylsulfonyl-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-butylsulfonyl-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-butylsulfonyl-2-pyridin-3-ylpiperazine is CCCCS(=O)(=O)N1CCNCC1c1cccnc1.
What is the InChIKey of 1-butylsulfonyl-2-pyridin-3-ylpiperazine?
The InChIKey is VXKOGXQQVARYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-2-3-9-19(17,18)16-8-7-15-11-13(16)12-5-4-6-14-10-12/h4-6,10,13,15H,2-3,7-9,11H2,1H3.
What are the key properties of 1-butylsulfonyl-2-pyridin-3-ylpiperazine?
1-butylsulfonyl-2-pyridin-3-ylpiperazine has a molecular weight of 283.40 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120763713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).