N-ethyl-N-(2-hydroxy-2-methylpropyl)propane-2-sulfonamide

C9H21NO3S — CID 79386715

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)propane-2-sulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO3S/c1-6-10(7-9(4,5)11)14(12,13)8(2)3/h8,11H,6-7H2,1-5H3
InChIKeyXOQXXXKEADNOJQ-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.82
Rot. Bonds5

About N-ethyl-N-(2-hydroxy-2-methylpropyl)propane-2-sulfonamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)propane-2-sulfonamide (PubChem CID 79386715) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)propane-2-sulfonamide
PubChem CID79386715
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)propane-2-sulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO3S/c1-6-10(7-9(4,5)11)14(12,13)8(2)3/h8,11H,6-7H2,1-5H3
InChIKeyXOQXXXKEADNOJQ-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)propane-2-sulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)propane-2-sulfonamide (CID 79386715) is N-ethyl-N-(2-hydroxy-2-methylpropyl)propane-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)propane-2-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)propane-2-sulfonamide is CCN(CC(C)(C)O)S(=O)(=O)C(C)C.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)propane-2-sulfonamide?
The InChIKey is XOQXXXKEADNOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-6-10(7-9(4,5)11)14(12,13)8(2)3/h8,11H,6-7H2,1-5H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)propane-2-sulfonamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)propane-2-sulfonamide has a molecular weight of 223.34 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)propane-2-sulfonamide is sourced from PubChem (CID 79386715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).