1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine

C15H24N4O2S — CID 167750740

IUPAC1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCC1(C)CCCN1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H24N4O2S/c1-15(2)7-5-9-19(15)22(20,21)18-12-10-17(11-13-18)14-6-3-4-8-16-14/h3-4,6,8H,5,7,9-13H2,1-2H3
InChIKeyKIJPITXJNUDBKE-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.32
Rot. Bonds3

About 1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine

1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine (PubChem CID 167750740) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine
PubChem CID167750740
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCC1(C)CCCN1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H24N4O2S/c1-15(2)7-5-9-19(15)22(20,21)18-12-10-17(11-13-18)14-6-3-4-8-16-14/h3-4,6,8H,5,7,9-13H2,1-2H3
InChIKeyKIJPITXJNUDBKE-UHFFFAOYSA-N
XLogP1.32
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 46981276
4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine
CID 35582506
1-methylsulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 47147001
4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233
1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine
CID 126893363
1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022
1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3465215
1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane
CID 126893450
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-pyridin-2-ylpiperazine
CID 55346773
(5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane
CID 3234926
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine (CID 167750740) is 1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine is CC1(C)CCCN1S(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine?
The InChIKey is KIJPITXJNUDBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-15(2)7-5-9-19(15)22(20,21)18-12-10-17(11-13-18)14-6-3-4-8-16-14/h3-4,6,8H,5,7,9-13H2,1-2H3.
What are the key properties of 1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine?
1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine has a molecular weight of 324.45 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 167750740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).