N-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide

C11H18N2O2S — CID 86816575

IUPACN-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C11H18N2O2S/c1-5-16(14,15)13(4)11-8-6-10(7-9-11)12(2)3/h6-9H,5H2,1-4H3
InChIKeyOMEDXSFQOAMRBS-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.54
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide

N-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide (PubChem CID 86816575) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide
PubChem CID86816575
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C11H18N2O2S/c1-5-16(14,15)13(4)11-8-6-10(7-9-11)12(2)3/h6-9H,5H2,1-4H3
InChIKeyOMEDXSFQOAMRBS-UHFFFAOYSA-N
XLogP1.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-N-methylpropane-1-sulfonamide
CID 28894568
N-[4-[ethylsulfonyl(methyl)amino]phenyl]prop-2-enamide
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N-(3-chlorophenyl)-N-methylethanesulfonamide
CID 118612457
4-[ethylsulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 27211679
4-(dimethylamino)-N,N-diethylbenzenesulfonamide
CID 11043368
4-[butylsulfonyl(methyl)amino]benzoic acid
CID 104698261
N-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide
CID 8991375
lithium 4-(dimethylamino)benzenesulfonate
CID 59248340
2-[4-[ethylsulfonyl(methyl)amino]phenyl]-N-hydroxy-2-phenylacetamide
CID 87443868
CID 71188100
CID 71188100
4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 21368424
N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide
CID 110869331

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide (CID 86816575) is N-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide?
The InChIKey is OMEDXSFQOAMRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-5-16(14,15)13(4)11-8-6-10(7-9-11)12(2)3/h6-9H,5H2,1-4H3.
What are the key properties of N-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide?
N-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide is sourced from PubChem (CID 86816575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).