(E)-4-amino-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-methylbut-2-enamide

C7H14N2O2S — CID 164659860

IUPAC(E)-4-amino-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-methylbut-2-enamide
SMILESC/C(=C\CN)C(=O)N=S(C)(C)=O
InChIInChI=1S/C7H14N2O2S/c1-6(4-5-8)7(10)9-12(2,3)11/h4H,5,8H2,1-3H3/b6-4+
InChIKeyIKDPSWWPVDFUQD-GQCTYLIASA-N
MW190.27 g/mol
LogP0.15
Rot. Bonds2

About (E)-4-amino-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-methylbut-2-enamide

(E)-4-amino-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-methylbut-2-enamide (PubChem CID 164659860) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is (E)-4-amino-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-amino-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-methylbut-2-enamide
PubChem CID164659860
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name(E)-4-amino-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-methylbut-2-enamide
SMILESC/C(=C\CN)C(=O)N=S(C)(C)=O
InChIInChI=1S/C7H14N2O2S/c1-6(4-5-8)7(10)9-12(2,3)11/h4H,5,8H2,1-3H3/b6-4+
InChIKeyIKDPSWWPVDFUQD-GQCTYLIASA-N
XLogP0.15
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-amino-N-methylsulfonylbut-2-enamide
CID 130533357
(E)-4-amino-N-[dimethyl(oxo)-lambda6-sulfanylidene]but-2-enamide
CID 133629818
4-Amino-n-methanesulfonyl-2-methylbut-2-enamide
CID 164659861

Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-methylbut-2-enamide?
The IUPAC name of (E)-4-amino-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-methylbut-2-enamide (CID 164659860) is (E)-4-amino-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-methylbut-2-enamide.
What is the SMILES notation for (E)-4-amino-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-methylbut-2-enamide?
The canonical SMILES for (E)-4-amino-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-methylbut-2-enamide is C/C(=C\CN)C(=O)N=S(C)(C)=O.
What is the InChIKey of (E)-4-amino-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-methylbut-2-enamide?
The InChIKey is IKDPSWWPVDFUQD-GQCTYLIASA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-6(4-5-8)7(10)9-12(2,3)11/h4H,5,8H2,1-3H3/b6-4+.
What are the key properties of (E)-4-amino-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-methylbut-2-enamide?
(E)-4-amino-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-methylbut-2-enamide has a molecular weight of 190.27 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-methylbut-2-enamide is sourced from PubChem (CID 164659860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).