(E)-2-alumanyl-N-tert-butylethenesulfonamide

C6H14AlNO2S — CID 163875809

IUPAC(E)-2-alumanyl-N-tert-butylethenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)/C=C/[AlH2]
InChIInChI=1S/C6H12NO2S.Al.2H/c1-5-10(8,9)7-6(2,3)4;;;/h1,5,7H,2-4H3;;;
InChIKeyPOSXSOAGFYRYAQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.19
Rot. Bonds2

About (E)-2-alumanyl-N-tert-butylethenesulfonamide

(E)-2-alumanyl-N-tert-butylethenesulfonamide (PubChem CID 163875809) has the molecular formula C6H14AlNO2S and a molecular weight of 191.23 g/mol. Its IUPAC name is (E)-2-alumanyl-N-tert-butylethenesulfonamide.

Molecular Properties

Compound Name(E)-2-alumanyl-N-tert-butylethenesulfonamide
PubChem CID163875809
Molecular FormulaC6H14AlNO2S
Molecular Weight191.23 g/mol
Exact Mass191.06
IUPAC Name(E)-2-alumanyl-N-tert-butylethenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)/C=C/[AlH2]
InChIInChI=1S/C6H12NO2S.Al.2H/c1-5-10(8,9)7-6(2,3)4;;;/h1,5,7H,2-4H3;;;
InChIKeyPOSXSOAGFYRYAQ-UHFFFAOYSA-N
XLogP-0.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-2-alumanyl-N-tert-butylethenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-alumanyl-N-tert-butylethenesulfonamide?
The IUPAC name of (E)-2-alumanyl-N-tert-butylethenesulfonamide (CID 163875809) is (E)-2-alumanyl-N-tert-butylethenesulfonamide.
What is the SMILES notation for (E)-2-alumanyl-N-tert-butylethenesulfonamide?
The canonical SMILES for (E)-2-alumanyl-N-tert-butylethenesulfonamide is CC(C)(C)NS(=O)(=O)/C=C/[AlH2].
What is the InChIKey of (E)-2-alumanyl-N-tert-butylethenesulfonamide?
The InChIKey is POSXSOAGFYRYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO2S.Al.2H/c1-5-10(8,9)7-6(2,3)4;;;/h1,5,7H,2-4H3;;;.
What are the key properties of (E)-2-alumanyl-N-tert-butylethenesulfonamide?
(E)-2-alumanyl-N-tert-butylethenesulfonamide has a molecular weight of 191.23 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-alumanyl-N-tert-butylethenesulfonamide is sourced from PubChem (CID 163875809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).