1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine

C14H22N4O2S — CID 134017693

IUPAC1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine
SMILESO=S(=O)(N1CCCC1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C14H22N4O2S/c19-21(20,17-7-3-4-8-17)18-11-9-16(10-12-18)13-14-5-1-2-6-15-14/h1-2,5-6H,3-4,7-13H2
InChIKeyDAJOTZIXNBBJHH-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.54
Rot. Bonds4

About 1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine

1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine (PubChem CID 134017693) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine
PubChem CID134017693
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine
SMILESO=S(=O)(N1CCCC1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C14H22N4O2S/c19-21(20,17-7-3-4-8-17)18-11-9-16(10-12-18)13-14-5-1-2-6-15-14/h1-2,5-6H,3-4,7-13H2
InChIKeyDAJOTZIXNBBJHH-UHFFFAOYSA-N
XLogP0.54
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413023
1-(pyridin-2-ylmethyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 17461841
5-[[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-1H-pyrimidine-2,4-dione
CID 46976850
2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine
CID 110096214
(1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 90513536
1-(2-methyltetrazol-5-yl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 167759057
1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 46556545
1-(4-chloro-2-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413660
3-methylsulfonyl-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450340
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 46646959
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 16573037

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine?
The IUPAC name of 1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine (CID 134017693) is 1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine?
The canonical SMILES for 1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine is O=S(=O)(N1CCCC1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine?
The InChIKey is DAJOTZIXNBBJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c19-21(20,17-7-3-4-8-17)18-11-9-16(10-12-18)13-14-5-1-2-6-15-14/h1-2,5-6H,3-4,7-13H2.
What are the key properties of 1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine?
1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine has a molecular weight of 310.42 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine is sourced from PubChem (CID 134017693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).