(Z)-3-amino-N-(3-methylphenyl)-4-sulfanylbut-3-enamide

C11H14N2OS — CID 88961782

IUPAC(Z)-3-amino-N-(3-methylphenyl)-4-sulfanylbut-3-enamide
SMILESCc1cccc(NC(=O)C/C(N)=C/S)c1
InChIInChI=1S/C11H14N2OS/c1-8-3-2-4-10(5-8)13-11(14)6-9(12)7-15/h2-5,7,15H,6,12H2,1H3,(H,13,14)/b9-7-
InChIKeyNMFKJPULLUCIEX-CLFYSBASSA-N
MW222.31 g/mol
LogP2.05
Rot. Bonds3

About (Z)-3-amino-N-(3-methylphenyl)-4-sulfanylbut-3-enamide

(Z)-3-amino-N-(3-methylphenyl)-4-sulfanylbut-3-enamide (PubChem CID 88961782) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is (Z)-3-amino-N-(3-methylphenyl)-4-sulfanylbut-3-enamide.

Molecular Properties

Compound Name(Z)-3-amino-N-(3-methylphenyl)-4-sulfanylbut-3-enamide
PubChem CID88961782
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name(Z)-3-amino-N-(3-methylphenyl)-4-sulfanylbut-3-enamide
SMILESCc1cccc(NC(=O)C/C(N)=C/S)c1
InChIInChI=1S/C11H14N2OS/c1-8-3-2-4-10(5-8)13-11(14)6-9(12)7-15/h2-5,7,15H,6,12H2,1H3,(H,13,14)/b9-7-
InChIKeyNMFKJPULLUCIEX-CLFYSBASSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
5-(carbamoylamino)-N-(3-methylphenyl)pentanamide
CID 9039147
2-[4-(aminomethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 63590654
[2-(3-methylanilino)-2-oxoethyl] acetate
CID 531943
N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108953012
3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 43553539
N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide
CID 108953078
N-(3-methylphenyl)acetamide
CID 10843
3-hydroxy-N-(3-methylphenyl)butanamide
CID 16769880
5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide
CID 106237407
2-(3-methylanilino)-2-sulfanylideneacetamide
CID 17385629
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N-(3-methylphenyl)-4-sulfanylbut-3-enamide?
The IUPAC name of (Z)-3-amino-N-(3-methylphenyl)-4-sulfanylbut-3-enamide (CID 88961782) is (Z)-3-amino-N-(3-methylphenyl)-4-sulfanylbut-3-enamide.
What is the SMILES notation for (Z)-3-amino-N-(3-methylphenyl)-4-sulfanylbut-3-enamide?
The canonical SMILES for (Z)-3-amino-N-(3-methylphenyl)-4-sulfanylbut-3-enamide is Cc1cccc(NC(=O)C/C(N)=C/S)c1.
What is the InChIKey of (Z)-3-amino-N-(3-methylphenyl)-4-sulfanylbut-3-enamide?
The InChIKey is NMFKJPULLUCIEX-CLFYSBASSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-3-2-4-10(5-8)13-11(14)6-9(12)7-15/h2-5,7,15H,6,12H2,1H3,(H,13,14)/b9-7-.
What are the key properties of (Z)-3-amino-N-(3-methylphenyl)-4-sulfanylbut-3-enamide?
(Z)-3-amino-N-(3-methylphenyl)-4-sulfanylbut-3-enamide has a molecular weight of 222.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-(3-methylphenyl)-4-sulfanylbut-3-enamide is sourced from PubChem (CID 88961782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).