N-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]methanesulfonamide

C17H22N2O3S2 — CID 44579444

IUPACN-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]methanesulfonamide
SMILESCSc1ccc(Oc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1
InChIInChI=1S/C17H22N2O3S2/c1-19(2)12-13-11-14(18-24(4,20)21)5-10-17(13)22-15-6-8-16(23-3)9-7-15/h5-11,18H,12H2,1-4H3
InChIKeyHEHZCBKVNPTLCZ-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.63
Rot. Bonds7

About N-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]methanesulfonamide

N-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]methanesulfonamide (PubChem CID 44579444) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]methanesulfonamide
PubChem CID44579444
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]methanesulfonamide
SMILESCSc1ccc(Oc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1
InChIInChI=1S/C17H22N2O3S2/c1-19(2)12-13-11-14(18-24(4,20)21)5-10-17(13)22-15-6-8-16(23-3)9-7-15/h5-11,18H,12H2,1-4H3
InChIKeyHEHZCBKVNPTLCZ-UHFFFAOYSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Uk-390957
CID 9884876
N-(3-((dimethylamino)methyl)-4-(4-(trifluoromethyl)phenoxy)phenyl)methanesulfonamide
CID 10110820
N-(4-(2,3-dihydrobenzo[b][1,4]oxathiin-7-yloxy)-3-((dimethylamino)methyl)phenyl)methanesulfonamide
CID 10200680
4-(4-Methylsulfanyl-2-prop-2-enylphenoxy)aniline;hydrochloride
CID 12943029
N-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]methanesulfonamide
CID 18428690
N-(3-((dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)phenyl)methanesulfonamide
CID 23001840
N-[3-[(dimethylamino)methyl]-4-(3-fluoro-4-methylsulfanylphenoxy)phenyl]methanesulfonamide
CID 44579445
N-(4-(3-fluoro-4-(methylthio)phenoxy)-3-((methylamino)methyl)phenyl)methanesulfonamide
CID 44579446
N-(4-(2,3-dihydrobenzo[b]thiophen-5-yloxy)-3-((dimethylamino)methyl)phenyl)methanesulfonamide
CID 44579486
3-((dimethylamino)methyl)-N-methyl-4-(4-(methylthio)phenoxy)benzenesulfonamide
CID 44579564
3-((dimethylamino)methyl)-N-methyl-4-(4-(methylsulfinyl)phenoxy)benzenesulfonamide
CID 44579565
3-((Dimethylamino)methyl)-4-(4-(methylsulfinyl)phenoxy)benzenesulfonamide
CID 25032786

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]methanesulfonamide (CID 44579444) is N-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]methanesulfonamide is CSc1ccc(Oc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]methanesulfonamide?
The InChIKey is HEHZCBKVNPTLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-19(2)12-13-11-14(18-24(4,20)21)5-10-17(13)22-15-6-8-16(23-3)9-7-15/h5-11,18H,12H2,1-4H3.
What are the key properties of N-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]methanesulfonamide?
N-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]methanesulfonamide has a molecular weight of 366.51 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 44579444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).