[4-(3-methylsulfanylpropylamino)phenyl]methanesulfonamide

C11H18N2O2S2 — CID 43745155

IUPAC[4-(3-methylsulfanylpropylamino)phenyl]methanesulfonamide
SMILESCSCCCNc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C11H18N2O2S2/c1-16-8-2-7-13-11-5-3-10(4-6-11)9-17(12,14)15/h3-6,13H,2,7-9H2,1H3,(H2,12,14,15)
InChIKeyMTKWGZVZMGNBEK-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.64
Rot. Bonds7

About [4-(3-methylsulfanylpropylamino)phenyl]methanesulfonamide

[4-(3-methylsulfanylpropylamino)phenyl]methanesulfonamide (PubChem CID 43745155) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is [4-(3-methylsulfanylpropylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-(3-methylsulfanylpropylamino)phenyl]methanesulfonamide
PubChem CID43745155
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name[4-(3-methylsulfanylpropylamino)phenyl]methanesulfonamide
SMILESCSCCCNc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C11H18N2O2S2/c1-16-8-2-7-13-11-5-3-10(4-6-11)9-17(12,14)15/h3-6,13H,2,7-9H2,1H3,(H2,12,14,15)
InChIKeyMTKWGZVZMGNBEK-UHFFFAOYSA-N
XLogP1.64
TPSA72.19 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 ≤ 51.64
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

[4-(ethylamino)phenyl]methanesulfonamide
CID 43745283
N-(3-methylsulfanylpropyl)-4-pentylaniline
CID 29286624
2-methyl-5-(4-methylsulfanylbutylamino)benzenesulfonamide
CID 103087246
[4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide
CID 43745169
1-methyl-3-[4-(3-methylsulfanylpropylamino)phenyl]urea
CID 43744307
4-(4-methylsulfanylbutylamino)benzamide
CID 103087176
[4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 43745244
N-(3-methylsulfanylpropyl)-4-(trifluoromethylsulfanyl)aniline
CID 43720459
4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine
CID 43680115
[4-(cyclopropylmethylamino)phenyl]methanesulfonamide
CID 43745277
[4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide
CID 62391957
N-(3-methylsulfanylpropyl)-3-methylsulfonylaniline
CID 60924451

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylsulfanylpropylamino)phenyl]methanesulfonamide?
The IUPAC name of [4-(3-methylsulfanylpropylamino)phenyl]methanesulfonamide (CID 43745155) is [4-(3-methylsulfanylpropylamino)phenyl]methanesulfonamide.
What is the SMILES notation for [4-(3-methylsulfanylpropylamino)phenyl]methanesulfonamide?
The canonical SMILES for [4-(3-methylsulfanylpropylamino)phenyl]methanesulfonamide is CSCCCNc1ccc(CS(N)(=O)=O)cc1.
What is the InChIKey of [4-(3-methylsulfanylpropylamino)phenyl]methanesulfonamide?
The InChIKey is MTKWGZVZMGNBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-16-8-2-7-13-11-5-3-10(4-6-11)9-17(12,14)15/h3-6,13H,2,7-9H2,1H3,(H2,12,14,15).
What are the key properties of [4-(3-methylsulfanylpropylamino)phenyl]methanesulfonamide?
[4-(3-methylsulfanylpropylamino)phenyl]methanesulfonamide has a molecular weight of 274.41 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylsulfanylpropylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 43745155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).