1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine

C15H32N2O2S — CID 65097056

IUPAC1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(CCCS(=O)(=O)CC)C(C(C)C)CN1
InChIInChI=1S/C15H32N2O2S/c1-5-8-14-12-17(15(11-16-14)13(3)4)9-7-10-20(18,19)6-2/h13-16H,5-12H2,1-4H3
InChIKeyGNLVVRMFDSGWOO-UHFFFAOYSA-N
MW304.50 g/mol
LogP1.91
Rot. Bonds8

About 1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine

1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine (PubChem CID 65097056) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine
PubChem CID65097056
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(CCCS(=O)(=O)CC)C(C(C)C)CN1
InChIInChI=1S/C15H32N2O2S/c1-5-8-14-12-17(15(11-16-14)13(3)4)9-7-10-20(18,19)6-2/h13-16H,5-12H2,1-4H3
InChIKeyGNLVVRMFDSGWOO-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine (CID 65097056) is 1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine is CCCC1CN(CCCS(=O)(=O)CC)C(C(C)C)CN1.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine?
The InChIKey is GNLVVRMFDSGWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-5-8-14-12-17(15(11-16-14)13(3)4)9-7-10-20(18,19)6-2/h13-16H,5-12H2,1-4H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine?
1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine has a molecular weight of 304.50 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine is sourced from PubChem (CID 65097056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).