(1S)-1-(furan-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanol

C15H19N3O4S — CID 34528237

IUPAC(1S)-1-(furan-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanol
SMILESO=S(=O)(c1cccnc1)N1CCN(C[C@H](O)c2ccco2)CC1
InChIInChI=1S/C15H19N3O4S/c19-14(15-4-2-10-22-15)12-17-6-8-18(9-7-17)23(20,21)13-3-1-5-16-11-13/h1-5,10-11,14,19H,6-9,12H2/t14-/m0/s1
InChIKeyJHYFCTSMRJNSCP-AWEZNQCLSA-N
MW337.40 g/mol
LogP0.71
Rot. Bonds5

About (1S)-1-(furan-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanol

(1S)-1-(furan-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanol (PubChem CID 34528237) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanol
PubChem CID34528237
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name(1S)-1-(furan-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanol
SMILESO=S(=O)(c1cccnc1)N1CCN(C[C@H](O)c2ccco2)CC1
InChIInChI=1S/C15H19N3O4S/c19-14(15-4-2-10-22-15)12-17-6-8-18(9-7-17)23(20,21)13-3-1-5-16-11-13/h1-5,10-11,14,19H,6-9,12H2/t14-/m0/s1
InChIKeyJHYFCTSMRJNSCP-AWEZNQCLSA-N
XLogP0.71
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanol?
The IUPAC name of (1S)-1-(furan-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanol (CID 34528237) is (1S)-1-(furan-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanol.
What is the SMILES notation for (1S)-1-(furan-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanol?
The canonical SMILES for (1S)-1-(furan-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanol is O=S(=O)(c1cccnc1)N1CCN(C[C@H](O)c2ccco2)CC1.
What is the InChIKey of (1S)-1-(furan-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanol?
The InChIKey is JHYFCTSMRJNSCP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19N3O4S/c19-14(15-4-2-10-22-15)12-17-6-8-18(9-7-17)23(20,21)13-3-1-5-16-11-13/h1-5,10-11,14,19H,6-9,12H2/t14-/m0/s1.
What are the key properties of (1S)-1-(furan-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanol?
(1S)-1-(furan-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanol has a molecular weight of 337.40 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanol is sourced from PubChem (CID 34528237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).