[dimethylamino(phenyl)methyl]-oxosulfanium

C9H12NOS+ — CID 19813754

IUPAC[dimethylamino(phenyl)methyl]-oxosulfanium
SMILESCN(C)C([S+]=O)c1ccccc1
InChIInChI=1S/C9H12NOS/c1-10(2)9(12-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3/q+1
InChIKeyHOYWSFFAYGSYMS-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.67
Rot. Bonds3

About [dimethylamino(phenyl)methyl]-oxosulfanium

[dimethylamino(phenyl)methyl]-oxosulfanium (PubChem CID 19813754) has the molecular formula C9H12NOS+ and a molecular weight of 182.27 g/mol. Its IUPAC name is [dimethylamino(phenyl)methyl]-oxosulfanium.

Molecular Properties

Compound Name[dimethylamino(phenyl)methyl]-oxosulfanium
PubChem CID19813754
Molecular FormulaC9H12NOS+
Molecular Weight182.27 g/mol
Exact Mass182.06
IUPAC Name[dimethylamino(phenyl)methyl]-oxosulfanium
SMILESCN(C)C([S+]=O)c1ccccc1
InChIInChI=1S/C9H12NOS/c1-10(2)9(12-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3/q+1
InChIKeyHOYWSFFAYGSYMS-UHFFFAOYSA-N
XLogP1.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [dimethylamino(phenyl)methyl]-oxosulfanium 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

[dimethylamino-(4-methylphenyl)methyl]-oxosulfanium
CID 19813751
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620
N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine
CID 67414377
N,N,N',N'-tetratert-butyl-1-phenylmethanediamine
CID 132599756
1-[2-[dimethylamino(phenyl)methyl]phenyl]-N,N-dimethyl-1-phenylmethanamine
CID 139888809
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
disodium;tetrakis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);bis(diphenylmethanolate)
CID 135049981
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
CID 89402051

Frequently Asked Questions

What is the IUPAC name of [dimethylamino(phenyl)methyl]-oxosulfanium?
The IUPAC name of [dimethylamino(phenyl)methyl]-oxosulfanium (CID 19813754) is [dimethylamino(phenyl)methyl]-oxosulfanium.
What is the SMILES notation for [dimethylamino(phenyl)methyl]-oxosulfanium?
The canonical SMILES for [dimethylamino(phenyl)methyl]-oxosulfanium is CN(C)C([S+]=O)c1ccccc1.
What is the InChIKey of [dimethylamino(phenyl)methyl]-oxosulfanium?
The InChIKey is HOYWSFFAYGSYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NOS/c1-10(2)9(12-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3/q+1.
What are the key properties of [dimethylamino(phenyl)methyl]-oxosulfanium?
[dimethylamino(phenyl)methyl]-oxosulfanium has a molecular weight of 182.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino(phenyl)methyl]-oxosulfanium is sourced from PubChem (CID 19813754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).