(3-anilino-3-oxopropyl)-dimethylsulfanium

C11H16NOS+ — CID 10786108

IUPAC(3-anilino-3-oxopropyl)-dimethylsulfanium
SMILESC[S+](C)CCC(=O)Nc1ccccc1
InChIInChI=1S/C11H15NOS/c1-14(2)9-8-11(13)12-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/p+1
InChIKeyXXBHPZBMLNTPMG-UHFFFAOYSA-O
MW210.32 g/mol
LogP1.89
Rot. Bonds4

About (3-anilino-3-oxopropyl)-dimethylsulfanium

(3-anilino-3-oxopropyl)-dimethylsulfanium (PubChem CID 10786108) has the molecular formula C11H16NOS+ and a molecular weight of 210.32 g/mol. Its IUPAC name is (3-anilino-3-oxopropyl)-dimethylsulfanium.

Molecular Properties

Compound Name(3-anilino-3-oxopropyl)-dimethylsulfanium
PubChem CID10786108
Molecular FormulaC11H16NOS+
Molecular Weight210.32 g/mol
Exact Mass210.09
IUPAC Name(3-anilino-3-oxopropyl)-dimethylsulfanium
SMILESC[S+](C)CCC(=O)Nc1ccccc1
InChIInChI=1S/C11H15NOS/c1-14(2)9-8-11(13)12-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/p+1
InChIKeyXXBHPZBMLNTPMG-UHFFFAOYSA-O
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[3-oxo-3-[4-(trifluoromethyl)anilino]propyl]sulfanium
CID 10623396
3-fluoro-N-phenylpropanamide
CID 70366284
(3-anilino-3-oxopropyl)-trimethylazanium
CID 173269381
N-phenylpentacosanamide
CID 19025260
5-anilino-2-methyl-5-oxopentanoic acid
CID 2950289
(2R)-5-anilino-2-methyl-5-oxopentanoic acid
CID 976695
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
3-acetamido-N-phenylpropanamide
CID 7946185
4-hydroxy-4-methyl-N-phenylpentanamide
CID 564630
N-phenylheptatetracontanamide
CID 150503307
4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide
CID 3140697
methyl 4-(4-anilinoanilino)-4-oxobutanoate
CID 730573

Frequently Asked Questions

What is the IUPAC name of (3-anilino-3-oxopropyl)-dimethylsulfanium?
The IUPAC name of (3-anilino-3-oxopropyl)-dimethylsulfanium (CID 10786108) is (3-anilino-3-oxopropyl)-dimethylsulfanium.
What is the SMILES notation for (3-anilino-3-oxopropyl)-dimethylsulfanium?
The canonical SMILES for (3-anilino-3-oxopropyl)-dimethylsulfanium is C[S+](C)CCC(=O)Nc1ccccc1.
What is the InChIKey of (3-anilino-3-oxopropyl)-dimethylsulfanium?
The InChIKey is XXBHPZBMLNTPMG-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H15NOS/c1-14(2)9-8-11(13)12-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/p+1.
What are the key properties of (3-anilino-3-oxopropyl)-dimethylsulfanium?
(3-anilino-3-oxopropyl)-dimethylsulfanium has a molecular weight of 210.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-anilino-3-oxopropyl)-dimethylsulfanium is sourced from PubChem (CID 10786108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).