1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide

C11H18N2O2S — CID 62022605

IUPAC1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(C)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C11H18N2O2S/c1-9(2)13(3)16(14,15)8-10-6-4-5-7-11(10)12/h4-7,9H,8,12H2,1-3H3
InChIKeyNBNKTJUEYZRIHO-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.44
Rot. Bonds4

About 1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide

1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide (PubChem CID 62022605) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
PubChem CID62022605
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(C)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C11H18N2O2S/c1-9(2)13(3)16(14,15)8-10-6-4-5-7-11(10)12/h4-7,9H,8,12H2,1-3H3
InChIKeyNBNKTJUEYZRIHO-UHFFFAOYSA-N
XLogP1.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)methanesulfonamide
CID 112656646
1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide
CID 79471332
2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide
CID 62020888
1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
CID 62022053
2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide
CID 62020724
2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide
CID 62020901
1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
CID 62022626
1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide
CID 62020148
1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide
CID 62020523
1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide
CID 62021691
N-[(2-aminophenyl)methyl]-N-propan-2-ylethanesulfonamide
CID 43460402
methyl 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetate
CID 62021460

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide (CID 62022605) is 1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide is CC(C)N(C)S(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide?
The InChIKey is NBNKTJUEYZRIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9(2)13(3)16(14,15)8-10-6-4-5-7-11(10)12/h4-7,9H,8,12H2,1-3H3.
What are the key properties of 1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide?
1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 62022605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).