[prop-2-enyl(sulfino)amino]benzene

C9H11NO2S — CID 57122703

IUPAC[prop-2-enyl(sulfino)amino]benzene
SMILESC=CCN(c1ccccc1)S(=O)O
InChIInChI=1S/C9H11NO2S/c1-2-8-10(13(11)12)9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12)
InChIKeyNTVCSJHEFLUYGH-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.82
Rot. Bonds4

About [prop-2-enyl(sulfino)amino]benzene

[prop-2-enyl(sulfino)amino]benzene (PubChem CID 57122703) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is [prop-2-enyl(sulfino)amino]benzene.

Molecular Properties

Compound Name[prop-2-enyl(sulfino)amino]benzene
PubChem CID57122703
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name[prop-2-enyl(sulfino)amino]benzene
SMILESC=CCN(c1ccccc1)S(=O)O
InChIInChI=1S/C9H11NO2S/c1-2-8-10(13(11)12)9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12)
InChIKeyNTVCSJHEFLUYGH-UHFFFAOYSA-N
XLogP1.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydride;N-phenyl-N-prop-2-enylaniline
CID 174146477
N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline
CID 93477605
2,2,2-trichloro-N-phenyl-N-prop-2-enylacetamide
CID 10901943
2-fluoro-N-phenyl-N-prop-2-enylbenzamide
CID 78795026
N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline
CID 142821122
N-phenyl-N-prop-2-enylcyclopropanecarboxamide
CID 78836355
N-prop-2-enyl-N-(trifluoromethyl)aniline
CID 19778773
N-prop-2-enoxy-N-prop-2-enylaniline
CID 10877921
N-ethyl-N-phenyl-N',N'-bis(prop-2-enyl)oxamide
CID 108516722
2-chloro-N-phenyl-N-prop-2-enylpropanamide
CID 14417035
2-[benzyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 130696057
benzenesulfinic acid;copper
CID 131882722

Frequently Asked Questions

What is the IUPAC name of [prop-2-enyl(sulfino)amino]benzene?
The IUPAC name of [prop-2-enyl(sulfino)amino]benzene (CID 57122703) is [prop-2-enyl(sulfino)amino]benzene.
What is the SMILES notation for [prop-2-enyl(sulfino)amino]benzene?
The canonical SMILES for [prop-2-enyl(sulfino)amino]benzene is C=CCN(c1ccccc1)S(=O)O.
What is the InChIKey of [prop-2-enyl(sulfino)amino]benzene?
The InChIKey is NTVCSJHEFLUYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-2-8-10(13(11)12)9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12).
What are the key properties of [prop-2-enyl(sulfino)amino]benzene?
[prop-2-enyl(sulfino)amino]benzene has a molecular weight of 197.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [prop-2-enyl(sulfino)amino]benzene is sourced from PubChem (CID 57122703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).