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

C13H26N2O4S — CID 164643128

IUPAC(3S)-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCCN1C[C@@H](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/t11-/m0/s1
InChIKeyNEIUISHBLLHQOB-NSHDSACASA-N
MW306.43 g/mol
LogP0.33
Rot. Bonds8

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

(3S)-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 164643128) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is (3S)-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID164643128
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name(3S)-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCCN1C[C@@H](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/t11-/m0/s1
InChIKeyNEIUISHBLLHQOB-NSHDSACASA-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

Analyze (3S)-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5-Hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675137
1-(5-Hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713541
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylethanesulfonamide
CID 106339806
1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide
CID 126822949
1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide
CID 126823047
[1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680196
[1-(5-Hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680624
[1-(6-Hydroxyhexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681888
[1-(5-Hydroxypentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681890
1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168716427
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168716441
1-(5-Hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716869

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of (3S)-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide (CID 164643128) is (3S)-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for (3S)-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for (3S)-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide is CCN1C[C@@H](S(=O)(=O)NCC(C)(C)CCCO)CC1=O.
What is the InChIKey of (3S)-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is NEIUISHBLLHQOB-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of (3S)-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide?
(3S)-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 (3S)-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 164643128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).