2-(4-aminopiperidin-1-yl)sulfonylethanol

C7H16N2O3S — CID 69276068

IUPAC2-(4-aminopiperidin-1-yl)sulfonylethanol
SMILESNC1CCN(S(=O)(=O)CCO)CC1
InChIInChI=1S/C7H16N2O3S/c8-7-1-3-9(4-2-7)13(11,12)6-5-10/h7,10H,1-6,8H2
InChIKeyAPGRKEHFBIRNKA-UHFFFAOYSA-N
MW208.28 g/mol
LogP-1.27
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)sulfonylethanol

2-(4-aminopiperidin-1-yl)sulfonylethanol (PubChem CID 69276068) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)sulfonylethanol.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)sulfonylethanol
PubChem CID69276068
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-(4-aminopiperidin-1-yl)sulfonylethanol
SMILESNC1CCN(S(=O)(=O)CCO)CC1
InChIInChI=1S/C7H16N2O3S/c8-7-1-3-9(4-2-7)13(11,12)6-5-10/h7,10H,1-6,8H2
InChIKeyAPGRKEHFBIRNKA-UHFFFAOYSA-N
XLogP-1.27
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)sulfonylethanol?
The IUPAC name of 2-(4-aminopiperidin-1-yl)sulfonylethanol (CID 69276068) is 2-(4-aminopiperidin-1-yl)sulfonylethanol.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)sulfonylethanol?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)sulfonylethanol is NC1CCN(S(=O)(=O)CCO)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)sulfonylethanol?
The InChIKey is APGRKEHFBIRNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c8-7-1-3-9(4-2-7)13(11,12)6-5-10/h7,10H,1-6,8H2.
What are the key properties of 2-(4-aminopiperidin-1-yl)sulfonylethanol?
2-(4-aminopiperidin-1-yl)sulfonylethanol has a molecular weight of 208.28 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)sulfonylethanol is sourced from PubChem (CID 69276068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).