5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine

C15H30N2O2S — CID 65097323

IUPAC5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
SMILESCCS(=O)(=O)CCCN1CC(C2CC2)NCC1C(C)C
InChIInChI=1S/C15H30N2O2S/c1-4-20(18,19)9-5-8-17-11-14(13-6-7-13)16-10-15(17)12(2)3/h12-16H,4-11H2,1-3H3
InChIKeyUCHFEKCVXJKBFP-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.52
Rot. Bonds7

About 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine

5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine (PubChem CID 65097323) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
PubChem CID65097323
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
SMILESCCS(=O)(=O)CCCN1CC(C2CC2)NCC1C(C)C
InChIInChI=1S/C15H30N2O2S/c1-4-20(18,19)9-5-8-17-11-14(13-6-7-13)16-10-15(17)12(2)3/h12-16H,4-11H2,1-3H3
InChIKeyUCHFEKCVXJKBFP-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-1-(4-methylpentyl)-2-propan-2-ylpiperazine
CID 64941954
1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine
CID 65097056
5-cyclohexyl-2-propan-2-yl-1-propylpiperazine
CID 64861326
5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine
CID 64862396
2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine
CID 64862424
5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine
CID 106733268
5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 65097167
1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 65097482
5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
CID 64934748
2-butan-2-yl-5-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64862422
2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine
CID 65097314
2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine
CID 106732887

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine (CID 65097323) is 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine is CCS(=O)(=O)CCCN1CC(C2CC2)NCC1C(C)C.
What is the InChIKey of 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine?
The InChIKey is UCHFEKCVXJKBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-4-20(18,19)9-5-8-17-11-14(13-6-7-13)16-10-15(17)12(2)3/h12-16H,4-11H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine?
5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine has a molecular weight of 302.48 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 65097323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).