N-(2-hydroxy-2-methylpropyl)-N-methylpyrrolidine-3-sulfonamide

C9H20N2O3S — CID 79386128

IUPACN-(2-hydroxy-2-methylpropyl)-N-methylpyrrolidine-3-sulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)C1CCNC1
InChIInChI=1S/C9H20N2O3S/c1-9(2,12)7-11(3)15(13,14)8-4-5-10-6-8/h8,10,12H,4-7H2,1-3H3
InChIKeyLZHDUVINLHKOCB-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.62
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-N-methylpyrrolidine-3-sulfonamide

N-(2-hydroxy-2-methylpropyl)-N-methylpyrrolidine-3-sulfonamide (PubChem CID 79386128) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methylpyrrolidine-3-sulfonamide
PubChem CID79386128
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methylpyrrolidine-3-sulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)C1CCNC1
InChIInChI=1S/C9H20N2O3S/c1-9(2,12)7-11(3)15(13,14)8-4-5-10-6-8/h8,10,12H,4-7H2,1-3H3
InChIKeyLZHDUVINLHKOCB-UHFFFAOYSA-N
XLogP-0.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylpyrrolidine-3-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylpyrrolidine-3-sulfonamide (CID 79386128) is N-(2-hydroxy-2-methylpropyl)-N-methylpyrrolidine-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methylpyrrolidine-3-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methylpyrrolidine-3-sulfonamide is CN(CC(C)(C)O)S(=O)(=O)C1CCNC1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methylpyrrolidine-3-sulfonamide?
The InChIKey is LZHDUVINLHKOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-9(2,12)7-11(3)15(13,14)8-4-5-10-6-8/h8,10,12H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methylpyrrolidine-3-sulfonamide?
N-(2-hydroxy-2-methylpropyl)-N-methylpyrrolidine-3-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 79386128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).