N-(4-amino-2-methylphenyl)-N-ethylmethanesulfinamide

C10H16N2OS — CID 142240260

IUPACN-(4-amino-2-methylphenyl)-N-ethylmethanesulfinamide
SMILESCCN(c1ccc(N)cc1C)S(C)=O
InChIInChI=1S/C10H16N2OS/c1-4-12(14(3)13)10-6-5-9(11)7-8(10)2/h5-7H,4,11H2,1-3H3
InChIKeyWOLAUZBESLGQQU-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.70
Rot. Bonds3

About N-(4-amino-2-methylphenyl)-N-ethylmethanesulfinamide

N-(4-amino-2-methylphenyl)-N-ethylmethanesulfinamide (PubChem CID 142240260) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-N-ethylmethanesulfinamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-N-ethylmethanesulfinamide
PubChem CID142240260
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-(4-amino-2-methylphenyl)-N-ethylmethanesulfinamide
SMILESCCN(c1ccc(N)cc1C)S(C)=O
InChIInChI=1S/C10H16N2OS/c1-4-12(14(3)13)10-6-5-9(11)7-8(10)2/h5-7H,4,11H2,1-3H3
InChIKeyWOLAUZBESLGQQU-UHFFFAOYSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine
CID 63698245
1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 62003547
1-N-ethyl-2-methyl-1-N-propylbenzene-1,4-diamine;methanesulfonamide
CID 70576933
1-N-ethyl-1-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine
CID 143231835
1-N-(3-methoxypropyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62985550
2-(4-amino-N,2-dimethylanilino)acetic acid
CID 62253488
2-(4-amino-N,2-dimethylanilino)propan-1-ol
CID 104551064
2-(4-amino-2-methyl-N-sulfinatoanilino)-6-(dimethylamino)naphthalene
CID 175280500
1-N-(2,4-dimethylphenyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62003179
1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine
CID 131048042
1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine
CID 55001536
4-methyl-3-methylsulfinylaniline
CID 79006286

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-N-ethylmethanesulfinamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-N-ethylmethanesulfinamide (CID 142240260) is N-(4-amino-2-methylphenyl)-N-ethylmethanesulfinamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-N-ethylmethanesulfinamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-N-ethylmethanesulfinamide is CCN(c1ccc(N)cc1C)S(C)=O.
What is the InChIKey of N-(4-amino-2-methylphenyl)-N-ethylmethanesulfinamide?
The InChIKey is WOLAUZBESLGQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-12(14(3)13)10-6-5-9(11)7-8(10)2/h5-7H,4,11H2,1-3H3.
What are the key properties of N-(4-amino-2-methylphenyl)-N-ethylmethanesulfinamide?
N-(4-amino-2-methylphenyl)-N-ethylmethanesulfinamide has a molecular weight of 212.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-N-ethylmethanesulfinamide is sourced from PubChem (CID 142240260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).