N-methyl-3-(3-methylsulfanylpropylamino)benzenesulfonamide

C11H18N2O2S2 — CID 43688461

IUPACN-methyl-3-(3-methylsulfanylpropylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCCCSC)c1
InChIInChI=1S/C11H18N2O2S2/c1-12-17(14,15)11-6-3-5-10(9-11)13-7-4-8-16-2/h3,5-6,9,12-13H,4,7-8H2,1-2H3
InChIKeyTZIJJEKMHDYCCP-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.76
Rot. Bonds7

About N-methyl-3-(3-methylsulfanylpropylamino)benzenesulfonamide

N-methyl-3-(3-methylsulfanylpropylamino)benzenesulfonamide (PubChem CID 43688461) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-3-(3-methylsulfanylpropylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(3-methylsulfanylpropylamino)benzenesulfonamide
PubChem CID43688461
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC NameN-methyl-3-(3-methylsulfanylpropylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCCCSC)c1
InChIInChI=1S/C11H18N2O2S2/c1-12-17(14,15)11-6-3-5-10(9-11)13-7-4-8-16-2/h3,5-6,9,12-13H,4,7-8H2,1-2H3
InChIKeyTZIJJEKMHDYCCP-UHFFFAOYSA-N
XLogP1.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylsulfanylpropyl)-3-methylsulfonylaniline
CID 60924451
N-methyl-3-(2-methylpropylamino)benzenesulfonamide
CID 43688509
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688489
3-(benzylamino)-N-methylbenzenesulfonamide
CID 43688532
3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688530
3-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103087126
3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 105401205
3-[(3-chloro-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 106816341
3-[1-(methylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63957668
3-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441517
3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 43688507

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylsulfanylpropylamino)benzenesulfonamide?
The IUPAC name of N-methyl-3-(3-methylsulfanylpropylamino)benzenesulfonamide (CID 43688461) is N-methyl-3-(3-methylsulfanylpropylamino)benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(3-methylsulfanylpropylamino)benzenesulfonamide?
The canonical SMILES for N-methyl-3-(3-methylsulfanylpropylamino)benzenesulfonamide is CNS(=O)(=O)c1cccc(NCCCSC)c1.
What is the InChIKey of N-methyl-3-(3-methylsulfanylpropylamino)benzenesulfonamide?
The InChIKey is TZIJJEKMHDYCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-12-17(14,15)11-6-3-5-10(9-11)13-7-4-8-16-2/h3,5-6,9,12-13H,4,7-8H2,1-2H3.
What are the key properties of N-methyl-3-(3-methylsulfanylpropylamino)benzenesulfonamide?
N-methyl-3-(3-methylsulfanylpropylamino)benzenesulfonamide has a molecular weight of 274.41 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylsulfanylpropylamino)benzenesulfonamide is sourced from PubChem (CID 43688461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).