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

C14H26N2O4S — CID 126822949

IUPAC1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCC(C)(CCCO)CNS(=O)(=O)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C14H26N2O4S/c1-14(2,6-3-7-17)10-15-21(19,20)12-8-13(18)16(9-12)11-4-5-11/h11-12,15,17H,3-10H2,1-2H3
InChIKeyQOHRMBQMJFAKJH-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.47
Rot. Bonds8

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

1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 126822949) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID126822949
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCC(C)(CCCO)CNS(=O)(=O)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C14H26N2O4S/c1-14(2,6-3-7-17)10-15-21(19,20)12-8-13(18)16(9-12)11-4-5-11/h11-12,15,17H,3-10H2,1-2H3
InChIKeyQOHRMBQMJFAKJH-UHFFFAOYSA-N
XLogP0.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide (CID 126822949) is 1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide is CC(C)(CCCO)CNS(=O)(=O)C1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is QOHRMBQMJFAKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-14(2,6-3-7-17)10-15-21(19,20)12-8-13(18)16(9-12)11-4-5-11/h11-12,15,17H,3-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide?
1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 126822949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).