N-tert-butyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide

C9H20N2O3S — CID 103357549

IUPACN-tert-butyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide
SMILESCC1(O)CCN(S(=O)(=O)NC(C)(C)C)C1
InChIInChI=1S/C9H20N2O3S/c1-8(2,3)10-15(13,14)11-6-5-9(4,12)7-11/h10,12H,5-7H2,1-4H3
InChIKeyKGUSSGNEXSZKFJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.08
Rot. Bonds2

About N-tert-butyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide

N-tert-butyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide (PubChem CID 103357549) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-tert-butyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide
PubChem CID103357549
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-tert-butyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide
SMILESCC1(O)CCN(S(=O)(=O)NC(C)(C)C)C1
InChIInChI=1S/C9H20N2O3S/c1-8(2,3)10-15(13,14)11-6-5-9(4,12)7-11/h10,12H,5-7H2,1-4H3
InChIKeyKGUSSGNEXSZKFJ-UHFFFAOYSA-N
XLogP0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide?
The IUPAC name of N-tert-butyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide (CID 103357549) is N-tert-butyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-tert-butyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide is CC1(O)CCN(S(=O)(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide?
The InChIKey is KGUSSGNEXSZKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8(2,3)10-15(13,14)11-6-5-9(4,12)7-11/h10,12H,5-7H2,1-4H3.
What are the key properties of N-tert-butyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide?
N-tert-butyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 103357549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).