1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine

C12H18N4O2S — CID 66195772

IUPAC1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine
SMILESO=S(=O)(c1cccnc1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C12H18N4O2S/c17-19(18,12-2-1-3-14-8-12)16-9-11(10-16)15-6-4-13-5-7-15/h1-3,8,11,13H,4-7,9-10H2
InChIKeyICIAPMPVZMYAIZ-UHFFFAOYSA-N
MW282.37 g/mol
LogP-0.64
Rot. Bonds3

About 1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine

1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine (PubChem CID 66195772) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine.

Molecular Properties

Compound Name1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine
PubChem CID66195772
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine
SMILESO=S(=O)(c1cccnc1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C12H18N4O2S/c17-19(18,12-2-1-3-14-8-12)16-9-11(10-16)15-6-4-13-5-7-15/h1-3,8,11,13H,4-7,9-10H2
InChIKeyICIAPMPVZMYAIZ-UHFFFAOYSA-N
XLogP-0.64
TPSA65.54 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 ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 121153642
1-pyridin-3-ylsulfonylazetidin-3-ol
CID 63105318
2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120718656
2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 86265415
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668
9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719570
1-piperazin-1-yl-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120982459
3-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylpyridine
CID 60977763
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide
CID 95815582
1-pyridin-3-ylsulfonylpiperidin-3-amine;dihydrochloride
CID 165437566

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine?
The IUPAC name of 1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine (CID 66195772) is 1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine.
What is the SMILES notation for 1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine?
The canonical SMILES for 1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine is O=S(=O)(c1cccnc1)N1CC(N2CCNCC2)C1.
What is the InChIKey of 1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine?
The InChIKey is ICIAPMPVZMYAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c17-19(18,12-2-1-3-14-8-12)16-9-11(10-16)15-6-4-13-5-7-15/h1-3,8,11,13H,4-7,9-10H2.
What are the key properties of 1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine?
1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine has a molecular weight of 282.37 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine is sourced from PubChem (CID 66195772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).