N-(oxolan-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide

C11H23N3O3S — CID 62822794

IUPACN-(oxolan-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide
SMILESO=S(=O)(CCN1CCNCC1)NCC1CCOC1
InChIInChI=1S/C11H23N3O3S/c15-18(16,13-9-11-1-7-17-10-11)8-6-14-4-2-12-3-5-14/h11-13H,1-10H2
InChIKeyXOGSDSXJSONDCO-UHFFFAOYSA-N
MW277.39 g/mol
LogP-1.15
Rot. Bonds6

About N-(oxolan-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide

N-(oxolan-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide (PubChem CID 62822794) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide
PubChem CID62822794
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN-(oxolan-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide
SMILESO=S(=O)(CCN1CCNCC1)NCC1CCOC1
InChIInChI=1S/C11H23N3O3S/c15-18(16,13-9-11-1-7-17-10-11)8-6-14-4-2-12-3-5-14/h11-13H,1-10H2
InChIKeyXOGSDSXJSONDCO-UHFFFAOYSA-N
XLogP-1.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide (CID 62822794) is N-(oxolan-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide is O=S(=O)(CCN1CCNCC1)NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide?
The InChIKey is XOGSDSXJSONDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c15-18(16,13-9-11-1-7-17-10-11)8-6-14-4-2-12-3-5-14/h11-13H,1-10H2.
What are the key properties of N-(oxolan-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide?
N-(oxolan-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide has a molecular weight of 277.39 g/mol, XLogP of -1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 62822794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).