N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylmethanesulfonamide

C13H22N2O2S — CID 23732403

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(Cc1ccc(N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C13H22N2O2S/c1-11(2)15(18(5,16)17)10-12-6-8-13(9-7-12)14(3)4/h6-9,11H,10H2,1-5H3
InChIKeyIRYGCCBHMATSHU-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.92
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylmethanesulfonamide

N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylmethanesulfonamide (PubChem CID 23732403) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylmethanesulfonamide
PubChem CID23732403
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(Cc1ccc(N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C13H22N2O2S/c1-11(2)15(18(5,16)17)10-12-6-8-13(9-7-12)14(3)4/h6-9,11H,10H2,1-5H3
InChIKeyIRYGCCBHMATSHU-UHFFFAOYSA-N
XLogP1.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-nitro-N-propan-2-ylbenzenesulfonamide
CID 2796754
N,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline
CID 142231722
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 31534668
3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide
CID 39363585
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 60682717
1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene
CID 167049064
N-[(4-aminophenyl)methyl]-N-propan-2-ylethanesulfonamide
CID 43460051
N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide
CID 117358329
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 56801300
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide
CID 79013489
N,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline
CID 59545884

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylmethanesulfonamide (CID 23732403) is N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylmethanesulfonamide is CC(C)N(Cc1ccc(N(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylmethanesulfonamide?
The InChIKey is IRYGCCBHMATSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-11(2)15(18(5,16)17)10-12-6-8-13(9-7-12)14(3)4/h6-9,11H,10H2,1-5H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylmethanesulfonamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 23732403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).