N-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide

C11H22N2O3S — CID 95969047

IUPACN-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C11H22N2O3S/c1-5-6-17(15,16)12-9-7-10(14)13(8-9)11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyGWIBFQREEKFXDN-VIFPVBQESA-N
MW262.37 g/mol
LogP0.72
Rot. Bonds4

About N-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide

N-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide (PubChem CID 95969047) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide
PubChem CID95969047
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C11H22N2O3S/c1-5-6-17(15,16)12-9-7-10(14)13(8-9)11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyGWIBFQREEKFXDN-VIFPVBQESA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide (CID 95969047) is N-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of N-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide?
The InChIKey is GWIBFQREEKFXDN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-5-6-17(15,16)12-9-7-10(14)13(8-9)11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of N-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide?
N-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 95969047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).