2-ethyl-1-methyl-4-(sulfinoamino)benzene

C9H13NO2S — CID 156579229

IUPAC2-ethyl-1-methyl-4-(sulfinoamino)benzene
SMILESCCc1cc(NS(=O)O)ccc1C
InChIInChI=1S/C9H13NO2S/c1-3-8-6-9(10-13(11)12)5-4-7(8)2/h4-6,10H,3H2,1-2H3,(H,11,12)
InChIKeyHVRARGWOQUKOND-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.11
Rot. Bonds3

About 2-ethyl-1-methyl-4-(sulfinoamino)benzene

2-ethyl-1-methyl-4-(sulfinoamino)benzene (PubChem CID 156579229) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-ethyl-1-methyl-4-(sulfinoamino)benzene.

Molecular Properties

Compound Name2-ethyl-1-methyl-4-(sulfinoamino)benzene
PubChem CID156579229
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-ethyl-1-methyl-4-(sulfinoamino)benzene
SMILESCCc1cc(NS(=O)O)ccc1C
InChIInChI=1S/C9H13NO2S/c1-3-8-6-9(10-13(11)12)5-4-7(8)2/h4-6,10H,3H2,1-2H3,(H,11,12)
InChIKeyHVRARGWOQUKOND-UHFFFAOYSA-N
XLogP2.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 2-ethyl-1-methyl-4-(sulfinoamino)benzene 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

2-ethyl-1-methyl-4-(sulfinatoamino)benzene
CID 156579228
1-ethyl-4-(sulfinoamino)benzene
CID 18364308
N-but-1-en-2-yl-3-ethyl-4-methylaniline
CID 155049153
1-methyl-4-(sulfinoamino)benzene
CID 19072501
1-butyl-3-(3-ethyl-4-methylphenyl)urea
CID 113356321
2-(2-amino-2-oxoethyl)-1-chloro-4-(sulfinoamino)benzene
CID 56974975
2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide
CID 114250238
3-amino-N-(3-ethyl-4-methylphenyl)butanamide
CID 120874215
3-ethyl-4-methyl-N-(2-phenylethyl)aniline
CID 114250176
N-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide
CID 113355949
(2R)-2-[(3-ethyl-4-methylphenyl)carbamoylamino]propanoic acid
CID 114189010
5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid
CID 114250389

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-4-(sulfinoamino)benzene?
The IUPAC name of 2-ethyl-1-methyl-4-(sulfinoamino)benzene (CID 156579229) is 2-ethyl-1-methyl-4-(sulfinoamino)benzene.
What is the SMILES notation for 2-ethyl-1-methyl-4-(sulfinoamino)benzene?
The canonical SMILES for 2-ethyl-1-methyl-4-(sulfinoamino)benzene is CCc1cc(NS(=O)O)ccc1C.
What is the InChIKey of 2-ethyl-1-methyl-4-(sulfinoamino)benzene?
The InChIKey is HVRARGWOQUKOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-8-6-9(10-13(11)12)5-4-7(8)2/h4-6,10H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-ethyl-1-methyl-4-(sulfinoamino)benzene?
2-ethyl-1-methyl-4-(sulfinoamino)benzene has a molecular weight of 199.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-4-(sulfinoamino)benzene is sourced from PubChem (CID 156579229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).