(Z)-1-(benzenesulfonyl)-4-iminobut-2-en-2-amine

C10H12N2O2S — CID 164828812

IUPAC(Z)-1-(benzenesulfonyl)-4-iminobut-2-en-2-amine
SMILES[H]/N=C/C=C(\N)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12N2O2S/c11-7-6-9(12)8-15(13,14)10-4-2-1-3-5-10/h1-7,11H,8,12H2/b9-6-,11-7+
InChIKeyKIJBQWMEXNGIPM-STGKXFFCSA-N
MW224.29 g/mol
LogP0.95
Rot. Bonds4

About (Z)-1-(benzenesulfonyl)-4-iminobut-2-en-2-amine

(Z)-1-(benzenesulfonyl)-4-iminobut-2-en-2-amine (PubChem CID 164828812) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is (Z)-1-(benzenesulfonyl)-4-iminobut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(benzenesulfonyl)-4-iminobut-2-en-2-amine
PubChem CID164828812
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC Name(Z)-1-(benzenesulfonyl)-4-iminobut-2-en-2-amine
SMILES[H]/N=C/C=C(\N)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12N2O2S/c11-7-6-9(12)8-15(13,14)10-4-2-1-3-5-10/h1-7,11H,8,12H2/b9-6-,11-7+
InChIKeyKIJBQWMEXNGIPM-STGKXFFCSA-N
XLogP0.95
TPSA84.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(Benzenesulfonyl)ethan-1-amine
CID 3545497
3-(Benzenesulfonyl)propan-1-amine
CID 5007910
1-(Benzenesulfonyl)butan-2-amine
CID 24263963
1-(Benzenesulfonyl)butan-2-imine
CID 12439956
2-(Benzenesulfonyl)cyclohexa-2,5-diene-1,4-diimine
CID 152186008
(Z)-3-amino-4-(4-fluorophenyl)sulfonylbut-2-enimidoyl chloride
CID 88855463
(2R)-1-(benzenesulfonyl)butan-2-amine
CID 15448936
(2S)-1-(benzenesulfonyl)butan-2-amine
CID 42262532
2-Benzenesulphonyl-acetamidine
CID 12716927
(E)-1-(benzenesulfonyl)prop-1-en-2-amine
CID 20260820
(Z)-5-(benzenesulfonyl)-1-methylsulfanylpent-2-en-3-amine
CID 23297879
2-(Benzenesulfonyl)ethanimidoyl cyanide
CID 53924529

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(benzenesulfonyl)-4-iminobut-2-en-2-amine?
The IUPAC name of (Z)-1-(benzenesulfonyl)-4-iminobut-2-en-2-amine (CID 164828812) is (Z)-1-(benzenesulfonyl)-4-iminobut-2-en-2-amine.
What is the SMILES notation for (Z)-1-(benzenesulfonyl)-4-iminobut-2-en-2-amine?
The canonical SMILES for (Z)-1-(benzenesulfonyl)-4-iminobut-2-en-2-amine is [H]/N=C/C=C(\N)CS(=O)(=O)c1ccccc1.
What is the InChIKey of (Z)-1-(benzenesulfonyl)-4-iminobut-2-en-2-amine?
The InChIKey is KIJBQWMEXNGIPM-STGKXFFCSA-N. The full InChI is InChI=1S/C10H12N2O2S/c11-7-6-9(12)8-15(13,14)10-4-2-1-3-5-10/h1-7,11H,8,12H2/b9-6-,11-7+.
What are the key properties of (Z)-1-(benzenesulfonyl)-4-iminobut-2-en-2-amine?
(Z)-1-(benzenesulfonyl)-4-iminobut-2-en-2-amine has a molecular weight of 224.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(benzenesulfonyl)-4-iminobut-2-en-2-amine is sourced from PubChem (CID 164828812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).