1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine

C14H22N4O2S — CID 66202357

IUPAC1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
SMILESO=S(=O)(CCc1ccccn1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H22N4O2S/c19-21(20,10-4-13-3-1-2-5-16-13)18-8-6-17(7-9-18)14-11-15-12-14/h1-3,5,14-15H,4,6-12H2
InChIKeyVEURHKGETQADIF-UHFFFAOYSA-N
MW310.42 g/mol
LogP-0.46
Rot. Bonds5

About 1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine

1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine (PubChem CID 66202357) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
PubChem CID66202357
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
SMILESO=S(=O)(CCc1ccccn1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H22N4O2S/c19-21(20,10-4-13-3-1-2-5-16-13)18-8-6-17(7-9-18)14-11-15-12-14/h1-3,5,14-15H,4,6-12H2
InChIKeyVEURHKGETQADIF-UHFFFAOYSA-N
XLogP-0.46
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-pyridin-2-ylethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213179
1-(azetidin-3-yl)-4-(2-pyridin-4-ylethylsulfonyl)piperazine
CID 66201584
1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60864901
[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol
CID 54878771
1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol
CID 63106619
3-chloro-8-(2-pyridin-2-ylethylsulfonyl)-8-azabicyclo[3.2.1]octane
CID 63764206
(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol
CID 79030740
2-[4-(2-pyridin-2-ylethylsulfonyl)piperazin-1-yl]ethanethioamide
CID 63336516
N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60865084
1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
CID 3717888
ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate
CID 23959675
2-[2-[3-(chloromethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63397714

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine (CID 66202357) is 1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine is O=S(=O)(CCc1ccccn1)N1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine?
The InChIKey is VEURHKGETQADIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c19-21(20,10-4-13-3-1-2-5-16-13)18-8-6-17(7-9-18)14-11-15-12-14/h1-3,5,14-15H,4,6-12H2.
What are the key properties of 1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine?
1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine has a molecular weight of 310.42 g/mol, XLogP of -0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine is sourced from PubChem (CID 66202357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).