1-amino-4-[2-[4-(sulfinatoamino)phenyl]prop-1-enyl]benzene

C15H15N2O2S- — CID 66836150

IUPAC1-amino-4-[2-[4-(sulfinatoamino)phenyl]prop-1-enyl]benzene
SMILESCC(=Cc1ccc(N)cc1)c1ccc(NS(=O)[O-])cc1
InChIInChI=1S/C15H16N2O2S/c1-11(10-12-2-6-14(16)7-3-12)13-4-8-15(9-5-13)17-20(18)19/h2-10,17H,16H2,1H3,(H,18,19)/p-1
InChIKeyXTYXPLFOWHBJGP-UHFFFAOYSA-M
MW287.36 g/mol
LogP3.04
Rot. Bonds4

About 1-amino-4-[2-[4-(sulfinatoamino)phenyl]prop-1-enyl]benzene

1-amino-4-[2-[4-(sulfinatoamino)phenyl]prop-1-enyl]benzene (PubChem CID 66836150) has the molecular formula C15H15N2O2S- and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-amino-4-[2-[4-(sulfinatoamino)phenyl]prop-1-enyl]benzene.

Molecular Properties

Compound Name1-amino-4-[2-[4-(sulfinatoamino)phenyl]prop-1-enyl]benzene
PubChem CID66836150
Molecular FormulaC15H15N2O2S-
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name1-amino-4-[2-[4-(sulfinatoamino)phenyl]prop-1-enyl]benzene
SMILESCC(=Cc1ccc(N)cc1)c1ccc(NS(=O)[O-])cc1
InChIInChI=1S/C15H16N2O2S/c1-11(10-12-2-6-14(16)7-3-12)13-4-8-15(9-5-13)17-20(18)19/h2-10,17H,16H2,1H3,(H,18,19)/p-1
InChIKeyXTYXPLFOWHBJGP-UHFFFAOYSA-M
XLogP3.04
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4-Diaminodiphenylmethane
CID 7577
Diphenylmethane diisocyanate
CID 7570
o-Tolidine
CID 8413
p-Toluidine
CID 7813
4-Aminobiphenyl
CID 7102
Benzidine
CID 7111
2-Aminobiphenyl
CID 7015
Benzenamine, 4-methyl-, hydrochloride (1:1)
CID 10891
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
4-Isopropylaniline
CID 7464
N,N-Dimethyl-N'-p-tolylsulphamide
CID 738302
2-Ethylaniline
CID 11357

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[2-[4-(sulfinatoamino)phenyl]prop-1-enyl]benzene?
The IUPAC name of 1-amino-4-[2-[4-(sulfinatoamino)phenyl]prop-1-enyl]benzene (CID 66836150) is 1-amino-4-[2-[4-(sulfinatoamino)phenyl]prop-1-enyl]benzene.
What is the SMILES notation for 1-amino-4-[2-[4-(sulfinatoamino)phenyl]prop-1-enyl]benzene?
The canonical SMILES for 1-amino-4-[2-[4-(sulfinatoamino)phenyl]prop-1-enyl]benzene is CC(=Cc1ccc(N)cc1)c1ccc(NS(=O)[O-])cc1.
What is the InChIKey of 1-amino-4-[2-[4-(sulfinatoamino)phenyl]prop-1-enyl]benzene?
The InChIKey is XTYXPLFOWHBJGP-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16N2O2S/c1-11(10-12-2-6-14(16)7-3-12)13-4-8-15(9-5-13)17-20(18)19/h2-10,17H,16H2,1H3,(H,18,19)/p-1.
What are the key properties of 1-amino-4-[2-[4-(sulfinatoamino)phenyl]prop-1-enyl]benzene?
1-amino-4-[2-[4-(sulfinatoamino)phenyl]prop-1-enyl]benzene has a molecular weight of 287.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[2-[4-(sulfinatoamino)phenyl]prop-1-enyl]benzene is sourced from PubChem (CID 66836150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).