1-(1-piperazin-1-ylsulfonylpyrrolidin-3-yl)ethanol

C10H21N3O3S — CID 112626102

IUPAC1-(1-piperazin-1-ylsulfonylpyrrolidin-3-yl)ethanol
SMILESCC(O)C1CCN(S(=O)(=O)N2CCNCC2)C1
InChIInChI=1S/C10H21N3O3S/c1-9(14)10-2-5-13(8-10)17(15,16)12-6-3-11-4-7-12/h9-11,14H,2-8H2,1H3
InChIKeyQVNSIUVZQZOPOF-UHFFFAOYSA-N
MW263.36 g/mol
LogP-1.16
Rot. Bonds3

About 1-(1-piperazin-1-ylsulfonylpyrrolidin-3-yl)ethanol

1-(1-piperazin-1-ylsulfonylpyrrolidin-3-yl)ethanol (PubChem CID 112626102) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(1-piperazin-1-ylsulfonylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-piperazin-1-ylsulfonylpyrrolidin-3-yl)ethanol
PubChem CID112626102
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name1-(1-piperazin-1-ylsulfonylpyrrolidin-3-yl)ethanol
SMILESCC(O)C1CCN(S(=O)(=O)N2CCNCC2)C1
InChIInChI=1S/C10H21N3O3S/c1-9(14)10-2-5-13(8-10)17(15,16)12-6-3-11-4-7-12/h9-11,14H,2-8H2,1H3
InChIKeyQVNSIUVZQZOPOF-UHFFFAOYSA-N
XLogP-1.16
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-piperazin-1-ylsulfonylpyrrolidin-3-yl)ethanol?
The IUPAC name of 1-(1-piperazin-1-ylsulfonylpyrrolidin-3-yl)ethanol (CID 112626102) is 1-(1-piperazin-1-ylsulfonylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 1-(1-piperazin-1-ylsulfonylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 1-(1-piperazin-1-ylsulfonylpyrrolidin-3-yl)ethanol is CC(O)C1CCN(S(=O)(=O)N2CCNCC2)C1.
What is the InChIKey of 1-(1-piperazin-1-ylsulfonylpyrrolidin-3-yl)ethanol?
The InChIKey is QVNSIUVZQZOPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-9(14)10-2-5-13(8-10)17(15,16)12-6-3-11-4-7-12/h9-11,14H,2-8H2,1H3.
What are the key properties of 1-(1-piperazin-1-ylsulfonylpyrrolidin-3-yl)ethanol?
1-(1-piperazin-1-ylsulfonylpyrrolidin-3-yl)ethanol has a molecular weight of 263.36 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperazin-1-ylsulfonylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 112626102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).