N-[(2-aminophenyl)methyl]-N-propan-2-ylcyclopentanesulfonamide

C15H24N2O2S — CID 105360558

IUPACN-[(2-aminophenyl)methyl]-N-propan-2-ylcyclopentanesulfonamide
SMILESCC(C)N(Cc1ccccc1N)S(=O)(=O)C1CCCC1
InChIInChI=1S/C15H24N2O2S/c1-12(2)17(11-13-7-3-6-10-15(13)16)20(18,19)14-8-4-5-9-14/h3,6-7,10,12,14H,4-5,8-9,11,16H2,1-2H3
InChIKeyNMWBAIQJVMBIBW-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.75
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-N-propan-2-ylcyclopentanesulfonamide

N-[(2-aminophenyl)methyl]-N-propan-2-ylcyclopentanesulfonamide (PubChem CID 105360558) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-propan-2-ylcyclopentanesulfonamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-propan-2-ylcyclopentanesulfonamide
PubChem CID105360558
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[(2-aminophenyl)methyl]-N-propan-2-ylcyclopentanesulfonamide
SMILESCC(C)N(Cc1ccccc1N)S(=O)(=O)C1CCCC1
InChIInChI=1S/C15H24N2O2S/c1-12(2)17(11-13-7-3-6-10-15(13)16)20(18,19)14-8-4-5-9-14/h3,6-7,10,12,14H,4-5,8-9,11,16H2,1-2H3
InChIKeyNMWBAIQJVMBIBW-UHFFFAOYSA-N
XLogP2.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.75
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

N-[(2-aminophenyl)methyl]-N-ethylcyclopentanesulfonamide
CID 105360552
N-[(2-aminophenyl)methyl]-1-methylsulfonyl-N-propan-2-ylmethanesulfonamide
CID 82838670
N-[(2-aminophenyl)methyl]-N-propan-2-ylethanesulfonamide
CID 43460402
1-amino-2-[[propan-2-yl(propylsulfamoyl)amino]methyl]benzene
CID 114804404
2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
N-[(2-aminophenyl)methyl]-3-bromo-N-propan-2-ylthiophene-2-sulfonamide
CID 61457781
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
CID 62700033
2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline
CID 62265361
1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
CID 62022605
2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid
CID 105360726
2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 43460982

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-propan-2-ylcyclopentanesulfonamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-propan-2-ylcyclopentanesulfonamide (CID 105360558) is N-[(2-aminophenyl)methyl]-N-propan-2-ylcyclopentanesulfonamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-propan-2-ylcyclopentanesulfonamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-propan-2-ylcyclopentanesulfonamide is CC(C)N(Cc1ccccc1N)S(=O)(=O)C1CCCC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-propan-2-ylcyclopentanesulfonamide?
The InChIKey is NMWBAIQJVMBIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12(2)17(11-13-7-3-6-10-15(13)16)20(18,19)14-8-4-5-9-14/h3,6-7,10,12,14H,4-5,8-9,11,16H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-propan-2-ylcyclopentanesulfonamide?
N-[(2-aminophenyl)methyl]-N-propan-2-ylcyclopentanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-propan-2-ylcyclopentanesulfonamide is sourced from PubChem (CID 105360558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).