(3-ethylsulfonylphenyl)methanamine

C9H13NO2S — CID 28796746

IUPAC(3-ethylsulfonylphenyl)methanamine
SMILESCCS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C9H13NO2S/c1-2-13(11,12)9-5-3-4-8(6-9)7-10/h3-6H,2,7,10H2,1H3
InChIKeyPATBAXHTZOVOMD-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.94
Rot. Bonds3

About (3-ethylsulfonylphenyl)methanamine

(3-ethylsulfonylphenyl)methanamine (PubChem CID 28796746) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is (3-ethylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(3-ethylsulfonylphenyl)methanamine
PubChem CID28796746
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name(3-ethylsulfonylphenyl)methanamine
SMILESCCS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C9H13NO2S/c1-2-13(11,12)9-5-3-4-8(6-9)7-10/h3-6H,2,7,10H2,1H3
InChIKeyPATBAXHTZOVOMD-UHFFFAOYSA-N
XLogP0.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethylsulfonylphenyl)methanamine?
The IUPAC name of (3-ethylsulfonylphenyl)methanamine (CID 28796746) is (3-ethylsulfonylphenyl)methanamine.
What is the SMILES notation for (3-ethylsulfonylphenyl)methanamine?
The canonical SMILES for (3-ethylsulfonylphenyl)methanamine is CCS(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of (3-ethylsulfonylphenyl)methanamine?
The InChIKey is PATBAXHTZOVOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-2-13(11,12)9-5-3-4-8(6-9)7-10/h3-6H,2,7,10H2,1H3.
What are the key properties of (3-ethylsulfonylphenyl)methanamine?
(3-ethylsulfonylphenyl)methanamine has a molecular weight of 199.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylsulfonylphenyl)methanamine is sourced from PubChem (CID 28796746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).