2-cyano-4-[(E)-prop-1-enyl]-1-(sulfinoamino)benzene

C10H10N2O2S — CID 67400575

IUPAC2-cyano-4-[(E)-prop-1-enyl]-1-(sulfinoamino)benzene
SMILESC/C=C/c1ccc(NS(=O)O)c(C#N)c1
InChIInChI=1S/C10H10N2O2S/c1-2-3-8-4-5-10(12-15(13)14)9(6-8)7-11/h2-6,12H,1H3,(H,13,14)/b3-2+
InChIKeyUJDMCNHWUMDKOH-NSCUHMNNSA-N
MW222.27 g/mol
LogP2.14
Rot. Bonds3

About 2-cyano-4-[(E)-prop-1-enyl]-1-(sulfinoamino)benzene

2-cyano-4-[(E)-prop-1-enyl]-1-(sulfinoamino)benzene (PubChem CID 67400575) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-cyano-4-[(E)-prop-1-enyl]-1-(sulfinoamino)benzene.

Molecular Properties

Compound Name2-cyano-4-[(E)-prop-1-enyl]-1-(sulfinoamino)benzene
PubChem CID67400575
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name2-cyano-4-[(E)-prop-1-enyl]-1-(sulfinoamino)benzene
SMILESC/C=C/c1ccc(NS(=O)O)c(C#N)c1
InChIInChI=1S/C10H10N2O2S/c1-2-3-8-4-5-10(12-15(13)14)9(6-8)7-11/h2-6,12H,1H3,(H,13,14)/b3-2+
InChIKeyUJDMCNHWUMDKOH-NSCUHMNNSA-N
XLogP2.14
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyano-4-[(E)-prop-1-enyl]-1-(sulfinoamino)benzene 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

1-cyano-2-(sulfinoamino)benzene
CID 68768484
1-cyano-4,5-difluoro-2-(sulfinoamino)benzene
CID 18361903
4-prop-1-enylbenzonitrile
CID 68719840
3-(3-cyano-4-fluorophenyl)prop-2-enoic acid
CID 53401702
(E)-N-(4-bromo-2-cyanophenyl)but-2-enamide
CID 82708502
4-amino-1-[(2-cyanophenyl)diazenyl]-2-(sulfinoamino)benzene
CID 156544187
5-(3-hydroxyprop-1-enyl)-2-methylbenzonitrile
CID 169453340
(2-cyanophenyl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7571220
N-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide
CID 67930388
5-(3-methoxyprop-1-enyl)-2-(tridecylamino)benzonitrile
CID 157175823
N-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methanesulfonamide
CID 59156661
3-cyano-4-(methylamino)benzoic acid
CID 131012409

Frequently Asked Questions

What is the IUPAC name of 2-cyano-4-[(E)-prop-1-enyl]-1-(sulfinoamino)benzene?
The IUPAC name of 2-cyano-4-[(E)-prop-1-enyl]-1-(sulfinoamino)benzene (CID 67400575) is 2-cyano-4-[(E)-prop-1-enyl]-1-(sulfinoamino)benzene.
What is the SMILES notation for 2-cyano-4-[(E)-prop-1-enyl]-1-(sulfinoamino)benzene?
The canonical SMILES for 2-cyano-4-[(E)-prop-1-enyl]-1-(sulfinoamino)benzene is C/C=C/c1ccc(NS(=O)O)c(C#N)c1.
What is the InChIKey of 2-cyano-4-[(E)-prop-1-enyl]-1-(sulfinoamino)benzene?
The InChIKey is UJDMCNHWUMDKOH-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-2-3-8-4-5-10(12-15(13)14)9(6-8)7-11/h2-6,12H,1H3,(H,13,14)/b3-2+.
What are the key properties of 2-cyano-4-[(E)-prop-1-enyl]-1-(sulfinoamino)benzene?
2-cyano-4-[(E)-prop-1-enyl]-1-(sulfinoamino)benzene has a molecular weight of 222.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-4-[(E)-prop-1-enyl]-1-(sulfinoamino)benzene is sourced from PubChem (CID 67400575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).