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

C14H22N4O2S — CID 66201584

IUPAC1-(azetidin-3-yl)-4-(2-pyridin-4-ylethylsulfonyl)piperazine
SMILESO=S(=O)(CCc1ccncc1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H22N4O2S/c19-21(20,10-3-13-1-4-15-5-2-13)18-8-6-17(7-9-18)14-11-16-12-14/h1-2,4-5,14,16H,3,6-12H2
InChIKeyMPJMYPTUHGNWMB-UHFFFAOYSA-N
MW310.42 g/mol
LogP-0.46
Rot. Bonds5

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

1-(azetidin-3-yl)-4-(2-pyridin-4-ylethylsulfonyl)piperazine (PubChem CID 66201584) 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-4-ylethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(2-pyridin-4-ylethylsulfonyl)piperazine
PubChem CID66201584
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name1-(azetidin-3-yl)-4-(2-pyridin-4-ylethylsulfonyl)piperazine
SMILESO=S(=O)(CCc1ccncc1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H22N4O2S/c19-21(20,10-3-13-1-4-15-5-2-13)18-8-6-17(7-9-18)14-11-16-12-14/h1-2,4-5,14,16H,3,6-12H2
InChIKeyMPJMYPTUHGNWMB-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

1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
CID 66202357
4-(2-pyrrolidin-1-ylsulfonylethyl)pyridine
CID 62732930
1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile
CID 62734075
1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol
CID 63106804
2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 63341357
2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine
CID 82687811
1-(2-pyridin-4-ylethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 63032884
5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine
CID 79993282
1-(2-pyridin-4-ylethylsulfonyl)piperidine-3-carbaldehyde
CID 63845727
2-(bromomethyl)-4-(2-pyridin-4-ylethylsulfonyl)morpholine
CID 81211924
2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 86768437
2-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylacetic acid
CID 66202541

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(2-pyridin-4-ylethylsulfonyl)piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(2-pyridin-4-ylethylsulfonyl)piperazine (CID 66201584) is 1-(azetidin-3-yl)-4-(2-pyridin-4-ylethylsulfonyl)piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(2-pyridin-4-ylethylsulfonyl)piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(2-pyridin-4-ylethylsulfonyl)piperazine is O=S(=O)(CCc1ccncc1)N1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(2-pyridin-4-ylethylsulfonyl)piperazine?
The InChIKey is MPJMYPTUHGNWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c19-21(20,10-3-13-1-4-15-5-2-13)18-8-6-17(7-9-18)14-11-16-12-14/h1-2,4-5,14,16H,3,6-12H2.
What are the key properties of 1-(azetidin-3-yl)-4-(2-pyridin-4-ylethylsulfonyl)piperazine?
1-(azetidin-3-yl)-4-(2-pyridin-4-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-4-ylethylsulfonyl)piperazine is sourced from PubChem (CID 66201584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).