N-tert-butylethanesulfonamide

C6H15NO2S — CID 3526384

IUPACN-tert-butylethanesulfonamide
SMILESCCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C6H15NO2S/c1-5-10(8,9)7-6(2,3)4/h7H,5H2,1-4H3
InChIKeyRWGDUNGZBOXVSB-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.72
Rot. Bonds2

About N-tert-butylethanesulfonamide

N-tert-butylethanesulfonamide (PubChem CID 3526384) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-tert-butylethanesulfonamide.

Molecular Properties

Compound NameN-tert-butylethanesulfonamide
PubChem CID3526384
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-tert-butylethanesulfonamide
SMILESCCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C6H15NO2S/c1-5-10(8,9)7-6(2,3)4/h7H,5H2,1-4H3
InChIKeyRWGDUNGZBOXVSB-UHFFFAOYSA-N
XLogP0.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylethanesulfonamide?
The IUPAC name of N-tert-butylethanesulfonamide (CID 3526384) is N-tert-butylethanesulfonamide.
What is the SMILES notation for N-tert-butylethanesulfonamide?
The canonical SMILES for N-tert-butylethanesulfonamide is CCS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylethanesulfonamide?
The InChIKey is RWGDUNGZBOXVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-5-10(8,9)7-6(2,3)4/h7H,5H2,1-4H3.
What are the key properties of N-tert-butylethanesulfonamide?
N-tert-butylethanesulfonamide has a molecular weight of 165.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylethanesulfonamide is sourced from PubChem (CID 3526384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).