1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide

C13H26N2O4S — CID 126823047

IUPAC1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCCN1CC(S(=O)(=O)NCC(C)(C)CCCO)CC1=O
InChIInChI=1S/C13H26N2O4S/c1-4-15-9-11(8-12(15)17)20(18,19)14-10-13(2,3)6-5-7-16/h11,14,16H,4-10H2,1-3H3
InChIKeyNEIUISHBLLHQOB-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.33
Rot. Bonds8

About 1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide

1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 126823047) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID126823047
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCCN1CC(S(=O)(=O)NCC(C)(C)CCCO)CC1=O
InChIInChI=1S/C13H26N2O4S/c1-4-15-9-11(8-12(15)17)20(18,19)14-10-13(2,3)6-5-7-16/h11,14,16H,4-10H2,1-3H3
InChIKeyNEIUISHBLLHQOB-UHFFFAOYSA-N
XLogP0.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide (CID 126823047) is 1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide is CCN1CC(S(=O)(=O)NCC(C)(C)CCCO)CC1=O.
What is the InChIKey of 1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is NEIUISHBLLHQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-4-15-9-11(8-12(15)17)20(18,19)14-10-13(2,3)6-5-7-16/h11,14,16H,4-10H2,1-3H3.
What are the key properties of 1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide?
1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 306.43 g/mol, XLogP of 0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 126823047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).