N,N-dimethyl-4-[1-(1-methylsulfanylpropan-2-ylamino)ethyl]benzenesulfonamide

C14H24N2O2S2 — CID 115677186

IUPACN,N-dimethyl-4-[1-(1-methylsulfanylpropan-2-ylamino)ethyl]benzenesulfonamide
SMILESCSCC(C)NC(C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H24N2O2S2/c1-11(10-19-5)15-12(2)13-6-8-14(9-7-13)20(17,18)16(3)4/h6-9,11-12,15H,10H2,1-5H3
InChIKeyNBBMMLGSBKMOPV-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.34
Rot. Bonds7

About N,N-dimethyl-4-[1-(1-methylsulfanylpropan-2-ylamino)ethyl]benzenesulfonamide

N,N-dimethyl-4-[1-(1-methylsulfanylpropan-2-ylamino)ethyl]benzenesulfonamide (PubChem CID 115677186) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(1-methylsulfanylpropan-2-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(1-methylsulfanylpropan-2-ylamino)ethyl]benzenesulfonamide
PubChem CID115677186
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN,N-dimethyl-4-[1-(1-methylsulfanylpropan-2-ylamino)ethyl]benzenesulfonamide
SMILESCSCC(C)NC(C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H24N2O2S2/c1-11(10-19-5)15-12(2)13-6-8-14(9-7-13)20(17,18)16(3)4/h6-9,11-12,15H,10H2,1-5H3
InChIKeyNBBMMLGSBKMOPV-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[1-(2-methylsulfanylethylamino)ethyl]benzenesulfonamide
CID 63981200
N,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide
CID 119129540
1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
CID 113261798
N,N-dimethyl-4-[1-(4-methylsulfanylbutylamino)ethyl]benzenesulfonamide
CID 115677168
N-[1-(4-iodophenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721846
4-[1-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115986126
4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 60960679
N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
CID 94195074
4-[1-(3,3-dimethylbutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115676311
3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119741190
N,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide
CID 115896099
4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115900312

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(1-methylsulfanylpropan-2-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[1-(1-methylsulfanylpropan-2-ylamino)ethyl]benzenesulfonamide (CID 115677186) is N,N-dimethyl-4-[1-(1-methylsulfanylpropan-2-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[1-(1-methylsulfanylpropan-2-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[1-(1-methylsulfanylpropan-2-ylamino)ethyl]benzenesulfonamide is CSCC(C)NC(C)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(1-methylsulfanylpropan-2-ylamino)ethyl]benzenesulfonamide?
The InChIKey is NBBMMLGSBKMOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-11(10-19-5)15-12(2)13-6-8-14(9-7-13)20(17,18)16(3)4/h6-9,11-12,15H,10H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[1-(1-methylsulfanylpropan-2-ylamino)ethyl]benzenesulfonamide?
N,N-dimethyl-4-[1-(1-methylsulfanylpropan-2-ylamino)ethyl]benzenesulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(1-methylsulfanylpropan-2-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 115677186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).