3-(benzenesulfinyl)-N,N-dimethylprop-1-en-1-amine

C11H15NOS — CID 173361526

IUPAC3-(benzenesulfinyl)-N,N-dimethylprop-1-en-1-amine
SMILESCN(C)C=CCS(=O)c1ccccc1
InChIInChI=1S/C11H15NOS/c1-12(2)9-6-10-14(13)11-7-4-3-5-8-11/h3-9H,10H2,1-2H3
InChIKeyKXCWQKPXANIJAH-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.87
Rot. Bonds4

About 3-(benzenesulfinyl)-N,N-dimethylprop-1-en-1-amine

3-(benzenesulfinyl)-N,N-dimethylprop-1-en-1-amine (PubChem CID 173361526) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-(benzenesulfinyl)-N,N-dimethylprop-1-en-1-amine.

Molecular Properties

Compound Name3-(benzenesulfinyl)-N,N-dimethylprop-1-en-1-amine
PubChem CID173361526
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name3-(benzenesulfinyl)-N,N-dimethylprop-1-en-1-amine
SMILESCN(C)C=CCS(=O)c1ccccc1
InChIInChI=1S/C11H15NOS/c1-12(2)9-6-10-14(13)11-7-4-3-5-8-11/h3-9H,10H2,1-2H3
InChIKeyKXCWQKPXANIJAH-UHFFFAOYSA-N
XLogP1.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfinyl)-N,N-dimethylprop-1-en-1-amine?
The IUPAC name of 3-(benzenesulfinyl)-N,N-dimethylprop-1-en-1-amine (CID 173361526) is 3-(benzenesulfinyl)-N,N-dimethylprop-1-en-1-amine.
What is the SMILES notation for 3-(benzenesulfinyl)-N,N-dimethylprop-1-en-1-amine?
The canonical SMILES for 3-(benzenesulfinyl)-N,N-dimethylprop-1-en-1-amine is CN(C)C=CCS(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfinyl)-N,N-dimethylprop-1-en-1-amine?
The InChIKey is KXCWQKPXANIJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-12(2)9-6-10-14(13)11-7-4-3-5-8-11/h3-9H,10H2,1-2H3.
What are the key properties of 3-(benzenesulfinyl)-N,N-dimethylprop-1-en-1-amine?
3-(benzenesulfinyl)-N,N-dimethylprop-1-en-1-amine has a molecular weight of 209.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfinyl)-N,N-dimethylprop-1-en-1-amine is sourced from PubChem (CID 173361526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).