2-[1-(2-aminoethylsulfonyl)piperidin-2-yl]ethanol

C9H20N2O3S — CID 16795349

IUPAC2-[1-(2-aminoethylsulfonyl)piperidin-2-yl]ethanol
SMILESNCCS(=O)(=O)N1CCCCC1CCO
InChIInChI=1S/C9H20N2O3S/c10-5-8-15(13,14)11-6-2-1-3-9(11)4-7-12/h9,12H,1-8,10H2
InChIKeyLOPYOHPPCZJWPU-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.49
Rot. Bonds5

About 2-[1-(2-aminoethylsulfonyl)piperidin-2-yl]ethanol

2-[1-(2-aminoethylsulfonyl)piperidin-2-yl]ethanol (PubChem CID 16795349) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-[1-(2-aminoethylsulfonyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-aminoethylsulfonyl)piperidin-2-yl]ethanol
PubChem CID16795349
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name2-[1-(2-aminoethylsulfonyl)piperidin-2-yl]ethanol
SMILESNCCS(=O)(=O)N1CCCCC1CCO
InChIInChI=1S/C9H20N2O3S/c10-5-8-15(13,14)11-6-2-1-3-9(11)4-7-12/h9,12H,1-8,10H2
InChIKeyLOPYOHPPCZJWPU-UHFFFAOYSA-N
XLogP-0.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethylsulfonyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-aminoethylsulfonyl)piperidin-2-yl]ethanol (CID 16795349) is 2-[1-(2-aminoethylsulfonyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-aminoethylsulfonyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-aminoethylsulfonyl)piperidin-2-yl]ethanol is NCCS(=O)(=O)N1CCCCC1CCO.
What is the InChIKey of 2-[1-(2-aminoethylsulfonyl)piperidin-2-yl]ethanol?
The InChIKey is LOPYOHPPCZJWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c10-5-8-15(13,14)11-6-2-1-3-9(11)4-7-12/h9,12H,1-8,10H2.
What are the key properties of 2-[1-(2-aminoethylsulfonyl)piperidin-2-yl]ethanol?
2-[1-(2-aminoethylsulfonyl)piperidin-2-yl]ethanol has a molecular weight of 236.34 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethylsulfonyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 16795349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).