[1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C12H24N2O4S — CID 168680624

IUPAC[1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)(CO)CCCN1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C12H24N2O4S/c1-12(2,9-15)4-3-5-14-7-10(6-11(14)16)8-19(13,17)18/h10,15H,3-9H2,1-2H3,(H2,13,17,18)
InChIKeyYIKGDSGMDJNPBM-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.08
Rot. Bonds7

About [1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680624) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is [1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680624
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name[1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)(CO)CCCN1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C12H24N2O4S/c1-12(2,9-15)4-3-5-14-7-10(6-11(14)16)8-19(13,17)18/h10,15H,3-9H2,1-2H3,(H2,13,17,18)
InChIKeyYIKGDSGMDJNPBM-UHFFFAOYSA-N
XLogP-0.08
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680624) is [1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is CC(C)(CO)CCCN1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is YIKGDSGMDJNPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-12(2,9-15)4-3-5-14-7-10(6-11(14)16)8-19(13,17)18/h10,15H,3-9H2,1-2H3,(H2,13,17,18).
What are the key properties of [1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 292.40 g/mol, XLogP of -0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).