(2-anilino-2-oxoethyl)sulfanium

C8H10NOS+ — CID 153278909

IUPAC(2-anilino-2-oxoethyl)sulfanium
SMILESO=C(C[SH2+])Nc1ccccc1
InChIInChI=1S/C8H9NOS/c10-8(6-11)9-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)/p+1
InChIKeyDLVKRCGYGJZXFK-UHFFFAOYSA-O
MW168.24 g/mol
LogP0.64
Rot. Bonds2

About (2-anilino-2-oxoethyl)sulfanium

(2-anilino-2-oxoethyl)sulfanium (PubChem CID 153278909) has the molecular formula C8H10NOS+ and a molecular weight of 168.24 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl)sulfanium.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl)sulfanium
PubChem CID153278909
Molecular FormulaC8H10NOS+
Molecular Weight168.24 g/mol
Exact Mass168.05
IUPAC Name(2-anilino-2-oxoethyl)sulfanium
SMILESO=C(C[SH2+])Nc1ccccc1
InChIInChI=1S/C8H9NOS/c10-8(6-11)9-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)/p+1
InChIKeyDLVKRCGYGJZXFK-UHFFFAOYSA-O
XLogP0.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.64
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

gold;N-phenyl-2-sulfanylacetamide
CID 138394114
3-oxo-N-phenylbutanamide
CID 161275903
N'-hydroxy-N-phenylpropanediamide
CID 20721653
3-fluoro-N-phenylpropanamide
CID 70366284
4-oxo-N,4-diphenylbutanamide
CID 825307
2,2,3-trideuterio-N-phenylpropanamide
CID 71772190
3-anilino-N-phenyl-3-sulfanylidenepropanamide
CID 2771545
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921
ethane;methane;N-phenylpropanamide
CID 159778408
bis(2-anilino-2-oxoethyl)-ethyl-methylazanium
CID 123545617
2-bromo-N-phenylacetamide;cyclopropane
CID 174384645
2-aminooxy-N-phenylacetamide
CID 68980997

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl)sulfanium?
The IUPAC name of (2-anilino-2-oxoethyl)sulfanium (CID 153278909) is (2-anilino-2-oxoethyl)sulfanium.
What is the SMILES notation for (2-anilino-2-oxoethyl)sulfanium?
The canonical SMILES for (2-anilino-2-oxoethyl)sulfanium is O=C(C[SH2+])Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl)sulfanium?
The InChIKey is DLVKRCGYGJZXFK-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9NOS/c10-8(6-11)9-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)/p+1.
What are the key properties of (2-anilino-2-oxoethyl)sulfanium?
(2-anilino-2-oxoethyl)sulfanium has a molecular weight of 168.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl)sulfanium is sourced from PubChem (CID 153278909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).