1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine

C15H24N2O4S2 — CID 110819016

IUPAC1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C15H24N2O4S2/c1-2-22(18,19)16-10-12-17(13-11-16)23(20,21)14-6-9-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3
InChIKeyHUAWKJUZHMHXQG-UHFFFAOYSA-N
MW360.50 g/mol
LogP0.92
Rot. Bonds7

About 1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine

1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine (PubChem CID 110819016) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
PubChem CID110819016
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC Name1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C15H24N2O4S2/c1-2-22(18,19)16-10-12-17(13-11-16)23(20,21)14-6-9-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3
InChIKeyHUAWKJUZHMHXQG-UHFFFAOYSA-N
XLogP0.92
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(3-phenylpropylsulfonyl)piperazine
CID 113073931
4-(3-phenylpropylsulfonyl)morpholine
CID 560201
1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine
CID 110708725
1-(2-ethoxyphenyl)-4-(3-phenylpropylsulfonyl)piperazine
CID 113077400
1-octadecylsulfonyl-4-(2-phenylethyl)piperazine
CID 68994874
1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine
CID 110725489
(2-methylphenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone
CID 110365415
1-pentyl-4-(2-phenylethylsulfonyl)piperazine
CID 113075151
[4-(3-phenylpropylsulfonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110364704
5-methyl-3-[[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 110646440
(2-fluorophenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone
CID 110365284
2-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397252

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine?
The IUPAC name of 1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine (CID 110819016) is 1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine?
The canonical SMILES for 1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine is CCS(=O)(=O)N1CCN(S(=O)(=O)CCCc2ccccc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine?
The InChIKey is HUAWKJUZHMHXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-2-22(18,19)16-10-12-17(13-11-16)23(20,21)14-6-9-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3.
What are the key properties of 1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine?
1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine has a molecular weight of 360.50 g/mol, XLogP of 0.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine is sourced from PubChem (CID 110819016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).