2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide

C15H23N3O4S — CID 119401538

IUPAC2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H23N3O4S/c1-12(2)22-14-5-3-13(4-6-14)17-23(20,21)11-15(19)18-9-7-16-8-10-18/h3-6,12,16-17H,7-11H2,1-2H3
InChIKeyOTPJYNXJNHSKLV-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.65
Rot. Bonds6

About 2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide

2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide (PubChem CID 119401538) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
PubChem CID119401538
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H23N3O4S/c1-12(2)22-14-5-3-13(4-6-14)17-23(20,21)11-15(19)18-9-7-16-8-10-18/h3-6,12,16-17H,7-11H2,1-2H3
InChIKeyOTPJYNXJNHSKLV-UHFFFAOYSA-N
XLogP0.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide?
The IUPAC name of 2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide (CID 119401538) is 2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide.
What is the SMILES notation for 2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide?
The canonical SMILES for 2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide is CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCNCC2)cc1.
What is the InChIKey of 2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide?
The InChIKey is OTPJYNXJNHSKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-12(2)22-14-5-3-13(4-6-14)17-23(20,21)11-15(19)18-9-7-16-8-10-18/h3-6,12,16-17H,7-11H2,1-2H3.
What are the key properties of 2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide?
2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide is sourced from PubChem (CID 119401538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).