N,N-dimethyl-2-[(4-propan-2-ylphenyl)methylamino]ethanesulfonamide

C14H24N2O2S — CID 106335225

IUPACN,N-dimethyl-2-[(4-propan-2-ylphenyl)methylamino]ethanesulfonamide
SMILESCC(C)c1ccc(CNCCS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-12(2)14-7-5-13(6-8-14)11-15-9-10-19(17,18)16(3)4/h5-8,12,15H,9-11H2,1-4H3
InChIKeyQXTICRNELCPBKW-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.79
Rot. Bonds7

About N,N-dimethyl-2-[(4-propan-2-ylphenyl)methylamino]ethanesulfonamide

N,N-dimethyl-2-[(4-propan-2-ylphenyl)methylamino]ethanesulfonamide (PubChem CID 106335225) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4-propan-2-ylphenyl)methylamino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4-propan-2-ylphenyl)methylamino]ethanesulfonamide
PubChem CID106335225
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN,N-dimethyl-2-[(4-propan-2-ylphenyl)methylamino]ethanesulfonamide
SMILESCC(C)c1ccc(CNCCS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-12(2)14-7-5-13(6-8-14)11-15-9-10-19(17,18)16(3)4/h5-8,12,15H,9-11H2,1-4H3
InChIKeyQXTICRNELCPBKW-UHFFFAOYSA-N
XLogP1.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[(4-methylphenyl)methylamino]ethanesulfonamide
CID 106335849
2-[(4-tert-butylphenyl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335316
2-[[4-(methoxymethyl)phenyl]methylamino]-N,N-dimethylethanesulfonamide
CID 106335084
N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]ethanesulfonamide
CID 106335032
2-[(4-bromo-3-chlorophenyl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335652
2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80695833
N,N-dimethyl-2-[(4-methyl-3-nitrophenyl)methylamino]ethanesulfonamide
CID 106335376
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335720
N',N'-diethyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17331877
4-iodo-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 106844555
N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17331857
4-[(4-propan-2-ylphenyl)methylamino]butanamide
CID 60863561

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4-propan-2-ylphenyl)methylamino]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[(4-propan-2-ylphenyl)methylamino]ethanesulfonamide (CID 106335225) is N,N-dimethyl-2-[(4-propan-2-ylphenyl)methylamino]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[(4-propan-2-ylphenyl)methylamino]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[(4-propan-2-ylphenyl)methylamino]ethanesulfonamide is CC(C)c1ccc(CNCCS(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[(4-propan-2-ylphenyl)methylamino]ethanesulfonamide?
The InChIKey is QXTICRNELCPBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-12(2)14-7-5-13(6-8-14)11-15-9-10-19(17,18)16(3)4/h5-8,12,15H,9-11H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[(4-propan-2-ylphenyl)methylamino]ethanesulfonamide?
N,N-dimethyl-2-[(4-propan-2-ylphenyl)methylamino]ethanesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4-propan-2-ylphenyl)methylamino]ethanesulfonamide is sourced from PubChem (CID 106335225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).