1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide

C11H18N2O3S2 — CID 113486328

IUPAC1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide
SMILESCC(CS(C)=O)NS(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C11H18N2O3S2/c1-9(7-17(2)14)13-18(15,16)8-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyQTVLDGAYFNIWJE-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.46
Rot. Bonds6

About 1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide

1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide (PubChem CID 113486328) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide
PubChem CID113486328
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide
SMILESCC(CS(C)=O)NS(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C11H18N2O3S2/c1-9(7-17(2)14)13-18(15,16)8-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyQTVLDGAYFNIWJE-UHFFFAOYSA-N
XLogP0.46
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63010726
1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 107864041
methyl 2-[(2-aminophenyl)methylsulfonylamino]propanoate
CID 62021871
2-[(2-aminophenyl)methylsulfonylamino]-3-methylbutanamide
CID 106343817
1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 62020361
1-(2-aminophenyl)-N-ethylmethanesulfonamide
CID 62021443
1-(2-aminophenyl)-N-(1-thiophen-2-ylbutyl)methanesulfonamide
CID 62022649
1-(2-aminophenyl)-N-(2-piperidin-1-ylpropyl)methanesulfonamide
CID 62021095
1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
CID 62022605
1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide
CID 43579028
2-[(2-aminophenyl)methylsulfonylamino]acetamide
CID 62021826
5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide
CID 113486780

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide (CID 113486328) is 1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide is CC(CS(C)=O)NS(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide?
The InChIKey is QTVLDGAYFNIWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-9(7-17(2)14)13-18(15,16)8-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8,12H2,1-2H3.
What are the key properties of 1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide?
1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide has a molecular weight of 290.41 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 113486328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).