1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide

C11H22N2O4S — CID 168716869

IUPAC1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCC(C)(CO)CCCN1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C11H22N2O4S/c1-11(2,8-14)4-3-5-13-7-9(6-10(13)15)18(12,16)17/h9,14H,3-8H2,1-2H3,(H2,12,16,17)
InChIKeyDZLPYWCBTIPFBU-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.33
Rot. Bonds6

About 1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide

1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168716869) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168716869
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCC(C)(CO)CCCN1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C11H22N2O4S/c1-11(2,8-14)4-3-5-13-7-9(6-10(13)15)18(12,16)17/h9,14H,3-8H2,1-2H3,(H2,12,16,17)
InChIKeyDZLPYWCBTIPFBU-UHFFFAOYSA-N
XLogP-0.33
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.33
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-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide (CID 168716869) is 1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide is CC(C)(CO)CCCN1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is DZLPYWCBTIPFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-11(2,8-14)4-3-5-13-7-9(6-10(13)15)18(12,16)17/h9,14H,3-8H2,1-2H3,(H2,12,16,17).
What are the key properties of 1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide?
1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 278.37 g/mol, XLogP of -0.33, 6 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-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).