2-tert-butyl-N-methyloxane-4-sulfonamide

C10H21NO3S — CID 165445826

IUPAC2-tert-butyl-N-methyloxane-4-sulfonamide
SMILESCNS(=O)(=O)C1CCOC(C(C)(C)C)C1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)9-7-8(5-6-14-9)15(12,13)11-4/h8-9,11H,5-7H2,1-4H3
InChIKeyNUZDAABZPBBSBL-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.13
Rot. Bonds2

About 2-tert-butyl-N-methyloxane-4-sulfonamide

2-tert-butyl-N-methyloxane-4-sulfonamide (PubChem CID 165445826) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-tert-butyl-N-methyloxane-4-sulfonamide.

Molecular Properties

Compound Name2-tert-butyl-N-methyloxane-4-sulfonamide
PubChem CID165445826
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-tert-butyl-N-methyloxane-4-sulfonamide
SMILESCNS(=O)(=O)C1CCOC(C(C)(C)C)C1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)9-7-8(5-6-14-9)15(12,13)11-4/h8-9,11H,5-7H2,1-4H3
InChIKeyNUZDAABZPBBSBL-UHFFFAOYSA-N
XLogP1.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methyloxane-4-sulfonamide?
The IUPAC name of 2-tert-butyl-N-methyloxane-4-sulfonamide (CID 165445826) is 2-tert-butyl-N-methyloxane-4-sulfonamide.
What is the SMILES notation for 2-tert-butyl-N-methyloxane-4-sulfonamide?
The canonical SMILES for 2-tert-butyl-N-methyloxane-4-sulfonamide is CNS(=O)(=O)C1CCOC(C(C)(C)C)C1.
What is the InChIKey of 2-tert-butyl-N-methyloxane-4-sulfonamide?
The InChIKey is NUZDAABZPBBSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-10(2,3)9-7-8(5-6-14-9)15(12,13)11-4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-N-methyloxane-4-sulfonamide?
2-tert-butyl-N-methyloxane-4-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methyloxane-4-sulfonamide is sourced from PubChem (CID 165445826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).