2-(4-butylsulfonylpiperazin-1-yl)-1-cyclopropylethanol

C13H26N2O3S — CID 71783503

IUPAC2-(4-butylsulfonylpiperazin-1-yl)-1-cyclopropylethanol
SMILESCCCCS(=O)(=O)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C13H26N2O3S/c1-2-3-10-19(17,18)15-8-6-14(7-9-15)11-13(16)12-4-5-12/h12-13,16H,2-11H2,1H3
InChIKeyMQVAVAHGIKDYLM-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.50
Rot. Bonds7

About 2-(4-butylsulfonylpiperazin-1-yl)-1-cyclopropylethanol

2-(4-butylsulfonylpiperazin-1-yl)-1-cyclopropylethanol (PubChem CID 71783503) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(4-butylsulfonylpiperazin-1-yl)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(4-butylsulfonylpiperazin-1-yl)-1-cyclopropylethanol
PubChem CID71783503
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name2-(4-butylsulfonylpiperazin-1-yl)-1-cyclopropylethanol
SMILESCCCCS(=O)(=O)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C13H26N2O3S/c1-2-3-10-19(17,18)15-8-6-14(7-9-15)11-13(16)12-4-5-12/h12-13,16H,2-11H2,1H3
InChIKeyMQVAVAHGIKDYLM-UHFFFAOYSA-N
XLogP0.50
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylsulfonylpiperazin-1-yl)-1-cyclopropylethanol?
The IUPAC name of 2-(4-butylsulfonylpiperazin-1-yl)-1-cyclopropylethanol (CID 71783503) is 2-(4-butylsulfonylpiperazin-1-yl)-1-cyclopropylethanol.
What is the SMILES notation for 2-(4-butylsulfonylpiperazin-1-yl)-1-cyclopropylethanol?
The canonical SMILES for 2-(4-butylsulfonylpiperazin-1-yl)-1-cyclopropylethanol is CCCCS(=O)(=O)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of 2-(4-butylsulfonylpiperazin-1-yl)-1-cyclopropylethanol?
The InChIKey is MQVAVAHGIKDYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-2-3-10-19(17,18)15-8-6-14(7-9-15)11-13(16)12-4-5-12/h12-13,16H,2-11H2,1H3.
What are the key properties of 2-(4-butylsulfonylpiperazin-1-yl)-1-cyclopropylethanol?
2-(4-butylsulfonylpiperazin-1-yl)-1-cyclopropylethanol has a molecular weight of 290.43 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylsulfonylpiperazin-1-yl)-1-cyclopropylethanol is sourced from PubChem (CID 71783503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).