N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropane-1-sulfonamide

C10H23NO3S — CID 79387796

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropane-1-sulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)CC(C)C
InChIInChI=1S/C10H23NO3S/c1-6-11(8-10(4,5)12)15(13,14)7-9(2)3/h9,12H,6-8H2,1-5H3
InChIKeyWVUMLUYVLLNTGT-UHFFFAOYSA-N
MW237.36 g/mol
LogP1.07
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropane-1-sulfonamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropane-1-sulfonamide (PubChem CID 79387796) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropane-1-sulfonamide
PubChem CID79387796
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropane-1-sulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)CC(C)C
InChIInChI=1S/C10H23NO3S/c1-6-11(8-10(4,5)12)15(13,14)7-9(2)3/h9,12H,6-8H2,1-5H3
InChIKeyWVUMLUYVLLNTGT-UHFFFAOYSA-N
XLogP1.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 51.07
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)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropane-1-sulfonamide (CID 79387796) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropane-1-sulfonamide is CCN(CC(C)(C)O)S(=O)(=O)CC(C)C.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropane-1-sulfonamide?
The InChIKey is WVUMLUYVLLNTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-6-11(8-10(4,5)12)15(13,14)7-9(2)3/h9,12H,6-8H2,1-5H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropane-1-sulfonamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropane-1-sulfonamide has a molecular weight of 237.36 g/mol, XLogP of 1.07, 6 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)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79387796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).