ethenylsulfonyl(phenyl)methanamine

C9H11NO2S — CID 154324940

IUPACethenylsulfonyl(phenyl)methanamine
SMILESC=CS(=O)(=O)C(N)c1ccccc1
InChIInChI=1S/C9H11NO2S/c1-2-13(11,12)9(10)8-6-4-3-5-7-8/h2-7,9H,1,10H2
InChIKeyZBTWRAYHTSFYCC-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.20
Rot. Bonds3

About ethenylsulfonyl(phenyl)methanamine

ethenylsulfonyl(phenyl)methanamine (PubChem CID 154324940) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is ethenylsulfonyl(phenyl)methanamine.

Molecular Properties

Compound Nameethenylsulfonyl(phenyl)methanamine
PubChem CID154324940
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Nameethenylsulfonyl(phenyl)methanamine
SMILESC=CS(=O)(=O)C(N)c1ccccc1
InChIInChI=1S/C9H11NO2S/c1-2-13(11,12)9(10)8-6-4-3-5-7-8/h2-7,9H,1,10H2
InChIKeyZBTWRAYHTSFYCC-UHFFFAOYSA-N
XLogP1.20
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethenylsulfonyl(phenyl)methanamine 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

phenylmethanediamine;sulfuric acid
CID 173298028
1-phenyl-2-prop-2-enylpent-4-en-1-amine;sulfuric acid
CID 175100507
1-phenylprop-2-ene-1-sulfonic acid
CID 158794272
N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide
CID 79672706
(2R,3S)-3-amino-2-phenylpent-4-enal
CID 170084967
[ethenylsulfonyl(diphenyl)methyl]benzene
CID 18788028
benzenesulfonic acid;ethenamine
CID 175283513
(113C)ethenylsulfonylbenzene
CID 66995821
(1R,2S)-2-amino-1-phenylbut-3-en-1-ol
CID 10942782
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
penta-1,4-dien-3-ylbenzene
CID 15879286
2,2-diphenylethanesulfonamide
CID 68954742

Frequently Asked Questions

What is the IUPAC name of ethenylsulfonyl(phenyl)methanamine?
The IUPAC name of ethenylsulfonyl(phenyl)methanamine (CID 154324940) is ethenylsulfonyl(phenyl)methanamine.
What is the SMILES notation for ethenylsulfonyl(phenyl)methanamine?
The canonical SMILES for ethenylsulfonyl(phenyl)methanamine is C=CS(=O)(=O)C(N)c1ccccc1.
What is the InChIKey of ethenylsulfonyl(phenyl)methanamine?
The InChIKey is ZBTWRAYHTSFYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-2-13(11,12)9(10)8-6-4-3-5-7-8/h2-7,9H,1,10H2.
What are the key properties of ethenylsulfonyl(phenyl)methanamine?
ethenylsulfonyl(phenyl)methanamine has a molecular weight of 197.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylsulfonyl(phenyl)methanamine is sourced from PubChem (CID 154324940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).