2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride

C10H16ClNOS — CID 21391051

IUPAC2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCS(=O)c1ccccc1.Cl
InChIInChI=1S/C10H15NOS.ClH/c1-11(2)8-9-13(12)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H
InChIKeyJOOYAAKNHRAKJO-UHFFFAOYSA-N
MW233.76 g/mol
LogP1.78
Rot. Bonds4

About 2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride

2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride (PubChem CID 21391051) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride
PubChem CID21391051
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCS(=O)c1ccccc1.Cl
InChIInChI=1S/C10H15NOS.ClH/c1-11(2)8-9-13(12)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H
InChIKeyJOOYAAKNHRAKJO-UHFFFAOYSA-N
XLogP1.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride (CID 21391051) is 2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride is CN(C)CCS(=O)c1ccccc1.Cl.
What is the InChIKey of 2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride?
The InChIKey is JOOYAAKNHRAKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS.ClH/c1-11(2)8-9-13(12)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H.
What are the key properties of 2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride?
2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride has a molecular weight of 233.76 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 21391051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).