N-(2-amino-5-methylphenyl)-N-methylethanesulfinamide

C10H16N2OS — CID 170287818

IUPACN-(2-amino-5-methylphenyl)-N-methylethanesulfinamide
SMILESCCS(=O)N(C)c1cc(C)ccc1N
InChIInChI=1S/C10H16N2OS/c1-4-14(13)12(3)10-7-8(2)5-6-9(10)11/h5-7H,4,11H2,1-3H3
InChIKeyMOBZSZSRLNZTEH-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.70
Rot. Bonds3

About N-(2-amino-5-methylphenyl)-N-methylethanesulfinamide

N-(2-amino-5-methylphenyl)-N-methylethanesulfinamide (PubChem CID 170287818) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(2-amino-5-methylphenyl)-N-methylethanesulfinamide.

Molecular Properties

Compound NameN-(2-amino-5-methylphenyl)-N-methylethanesulfinamide
PubChem CID170287818
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-(2-amino-5-methylphenyl)-N-methylethanesulfinamide
SMILESCCS(=O)N(C)c1cc(C)ccc1N
InChIInChI=1S/C10H16N2OS/c1-4-14(13)12(3)10-7-8(2)5-6-9(10)11/h5-7H,4,11H2,1-3H3
InChIKeyMOBZSZSRLNZTEH-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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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methylphenyl)-N-methylethanesulfinamide?
The IUPAC name of N-(2-amino-5-methylphenyl)-N-methylethanesulfinamide (CID 170287818) is N-(2-amino-5-methylphenyl)-N-methylethanesulfinamide.
What is the SMILES notation for N-(2-amino-5-methylphenyl)-N-methylethanesulfinamide?
The canonical SMILES for N-(2-amino-5-methylphenyl)-N-methylethanesulfinamide is CCS(=O)N(C)c1cc(C)ccc1N.
What is the InChIKey of N-(2-amino-5-methylphenyl)-N-methylethanesulfinamide?
The InChIKey is MOBZSZSRLNZTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-14(13)12(3)10-7-8(2)5-6-9(10)11/h5-7H,4,11H2,1-3H3.
What are the key properties of N-(2-amino-5-methylphenyl)-N-methylethanesulfinamide?
N-(2-amino-5-methylphenyl)-N-methylethanesulfinamide 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-(2-amino-5-methylphenyl)-N-methylethanesulfinamide is sourced from PubChem (CID 170287818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).