(E)-N-(2,3-dimethylbutan-2-yl)-3-methylbut-1-ene-1-sulfonamide

C11H23NO2S — CID 140915551

IUPAC(E)-N-(2,3-dimethylbutan-2-yl)-3-methylbut-1-ene-1-sulfonamide
SMILESCC(C)/C=C/S(=O)(=O)NC(C)(C)C(C)C
InChIInChI=1S/C11H23NO2S/c1-9(2)7-8-15(13,14)12-11(5,6)10(3)4/h7-10,12H,1-6H3/b8-7+
InChIKeyBPYSDTYQFPVONS-BQYQJAHWSA-N
MW233.38 g/mol
LogP2.51
Rot. Bonds5

About (E)-N-(2,3-dimethylbutan-2-yl)-3-methylbut-1-ene-1-sulfonamide

(E)-N-(2,3-dimethylbutan-2-yl)-3-methylbut-1-ene-1-sulfonamide (PubChem CID 140915551) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is (E)-N-(2,3-dimethylbutan-2-yl)-3-methylbut-1-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-N-(2,3-dimethylbutan-2-yl)-3-methylbut-1-ene-1-sulfonamide
PubChem CID140915551
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name(E)-N-(2,3-dimethylbutan-2-yl)-3-methylbut-1-ene-1-sulfonamide
SMILESCC(C)/C=C/S(=O)(=O)NC(C)(C)C(C)C
InChIInChI=1S/C11H23NO2S/c1-9(2)7-8-15(13,14)12-11(5,6)10(3)4/h7-10,12H,1-6H3/b8-7+
InChIKeyBPYSDTYQFPVONS-BQYQJAHWSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dimethylbutan-2-yl)-3-methylbut-1-ene-1-sulfonamide?
The IUPAC name of (E)-N-(2,3-dimethylbutan-2-yl)-3-methylbut-1-ene-1-sulfonamide (CID 140915551) is (E)-N-(2,3-dimethylbutan-2-yl)-3-methylbut-1-ene-1-sulfonamide.
What is the SMILES notation for (E)-N-(2,3-dimethylbutan-2-yl)-3-methylbut-1-ene-1-sulfonamide?
The canonical SMILES for (E)-N-(2,3-dimethylbutan-2-yl)-3-methylbut-1-ene-1-sulfonamide is CC(C)/C=C/S(=O)(=O)NC(C)(C)C(C)C.
What is the InChIKey of (E)-N-(2,3-dimethylbutan-2-yl)-3-methylbut-1-ene-1-sulfonamide?
The InChIKey is BPYSDTYQFPVONS-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9(2)7-8-15(13,14)12-11(5,6)10(3)4/h7-10,12H,1-6H3/b8-7+.
What are the key properties of (E)-N-(2,3-dimethylbutan-2-yl)-3-methylbut-1-ene-1-sulfonamide?
(E)-N-(2,3-dimethylbutan-2-yl)-3-methylbut-1-ene-1-sulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dimethylbutan-2-yl)-3-methylbut-1-ene-1-sulfonamide is sourced from PubChem (CID 140915551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).