N-ethyl-N-(2-hydroxyethyl)-3-methylbutane-1-sulfonamide

C9H21NO3S — CID 63856418

IUPACN-ethyl-N-(2-hydroxyethyl)-3-methylbutane-1-sulfonamide
SMILESCCN(CCO)S(=O)(=O)CCC(C)C
InChIInChI=1S/C9H21NO3S/c1-4-10(6-7-11)14(12,13)8-5-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyWDGIKVDGGMQOQL-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.68
Rot. Bonds7

About N-ethyl-N-(2-hydroxyethyl)-3-methylbutane-1-sulfonamide

N-ethyl-N-(2-hydroxyethyl)-3-methylbutane-1-sulfonamide (PubChem CID 63856418) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-3-methylbutane-1-sulfonamide
PubChem CID63856418
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-3-methylbutane-1-sulfonamide
SMILESCCN(CCO)S(=O)(=O)CCC(C)C
InChIInChI=1S/C9H21NO3S/c1-4-10(6-7-11)14(12,13)8-5-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyWDGIKVDGGMQOQL-UHFFFAOYSA-N
XLogP0.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.68
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-hydroxyethyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-methylbutane-1-sulfonamide (CID 63856418) is N-ethyl-N-(2-hydroxyethyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-3-methylbutane-1-sulfonamide is CCN(CCO)S(=O)(=O)CCC(C)C.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-3-methylbutane-1-sulfonamide?
The InChIKey is WDGIKVDGGMQOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-4-10(6-7-11)14(12,13)8-5-9(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-3-methylbutane-1-sulfonamide?
N-ethyl-N-(2-hydroxyethyl)-3-methylbutane-1-sulfonamide has a molecular weight of 223.34 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 63856418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).