(E)-N-tert-butyl-3,3-dimethylbut-1-ene-1-sulfonamide

C10H21NO2S — CID 58790432

IUPAC(E)-N-tert-butyl-3,3-dimethylbut-1-ene-1-sulfonamide
SMILESCC(C)(C)/C=C/S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-9(2,3)7-8-14(12,13)11-10(4,5)6/h7-8,11H,1-6H3/b8-7+
InChIKeyXZWBRLYBIZCNJO-BQYQJAHWSA-N
MW219.35 g/mol
LogP2.26
Rot. Bonds2

About (E)-N-tert-butyl-3,3-dimethylbut-1-ene-1-sulfonamide

(E)-N-tert-butyl-3,3-dimethylbut-1-ene-1-sulfonamide (PubChem CID 58790432) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is (E)-N-tert-butyl-3,3-dimethylbut-1-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-3,3-dimethylbut-1-ene-1-sulfonamide
PubChem CID58790432
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name(E)-N-tert-butyl-3,3-dimethylbut-1-ene-1-sulfonamide
SMILESCC(C)(C)/C=C/S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-9(2,3)7-8-14(12,13)11-10(4,5)6/h7-8,11H,1-6H3/b8-7+
InChIKeyXZWBRLYBIZCNJO-BQYQJAHWSA-N
XLogP2.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-N-tert-butyl-3,3-dimethylbut-1-ene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butylbut-3-ene-1-sulfonamide
CID 84480137
N-(2-methylbut-3-en-2-yl)methanesulfonamide
CID 155930966
N-tert-butylpent-4-ene-2-sulfonamide
CID 155932030
N-tert-butylpent-4-ene-1-sulfonamide
CID 18467632
(E)-N-tert-butylbut-1-ene-1-sulfonamide
CID 22131293
N-tert-butylbut-1-ene-1-sulfonamide
CID 54358520
(E)-3,3-dimethyl-N-propan-2-ylbut-1-ene-1-sulfonamide
CID 57749662
(E)-N-tert-butylprop-1-ene-1-sulfonamide
CID 130208650
(Z)-N-tert-butylprop-1-ene-1-sulfonamide
CID 138580238
(E)-N-(2,3-dimethylbutan-2-yl)-3-methylbut-1-ene-1-sulfonamide
CID 140915551
N-tert-butylethenesulfonamide;methane
CID 161434127
2-Methylbut-3-en-2-amine;propane-1-sulfonic acid
CID 175014884

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-3,3-dimethylbut-1-ene-1-sulfonamide?
The IUPAC name of (E)-N-tert-butyl-3,3-dimethylbut-1-ene-1-sulfonamide (CID 58790432) is (E)-N-tert-butyl-3,3-dimethylbut-1-ene-1-sulfonamide.
What is the SMILES notation for (E)-N-tert-butyl-3,3-dimethylbut-1-ene-1-sulfonamide?
The canonical SMILES for (E)-N-tert-butyl-3,3-dimethylbut-1-ene-1-sulfonamide is CC(C)(C)/C=C/S(=O)(=O)NC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-3,3-dimethylbut-1-ene-1-sulfonamide?
The InChIKey is XZWBRLYBIZCNJO-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2,3)7-8-14(12,13)11-10(4,5)6/h7-8,11H,1-6H3/b8-7+.
What are the key properties of (E)-N-tert-butyl-3,3-dimethylbut-1-ene-1-sulfonamide?
(E)-N-tert-butyl-3,3-dimethylbut-1-ene-1-sulfonamide has a molecular weight of 219.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-3,3-dimethylbut-1-ene-1-sulfonamide is sourced from PubChem (CID 58790432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).