N-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide

C9H20N2O3S — CID 111111504

IUPACN-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN1CCC(O)CC1
InChIInChI=1S/C9H20N2O3S/c1-2-15(13,14)10-5-8-11-6-3-9(12)4-7-11/h9-10,12H,2-8H2,1H3
InChIKeyOGRWQJMWEHKOKH-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.62
Rot. Bonds5

About N-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide

N-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide (PubChem CID 111111504) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide
PubChem CID111111504
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN1CCC(O)CC1
InChIInChI=1S/C9H20N2O3S/c1-2-15(13,14)10-5-8-11-6-3-9(12)4-7-11/h9-10,12H,2-8H2,1H3
InChIKeyOGRWQJMWEHKOKH-UHFFFAOYSA-N
XLogP-0.62
TPSA69.64 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 ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide (CID 111111504) is N-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCN1CCC(O)CC1.
What is the InChIKey of N-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide?
The InChIKey is OGRWQJMWEHKOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-2-15(13,14)10-5-8-11-6-3-9(12)4-7-11/h9-10,12H,2-8H2,1H3.
What are the key properties of N-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide?
N-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 111111504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).