2-(ethylsulfonylamino)-2-phenylethanethioamide

C10H14N2O2S2 — CID 61121905

IUPAC2-(ethylsulfonylamino)-2-phenylethanethioamide
SMILESCCS(=O)(=O)NC(C(N)=S)c1ccccc1
InChIInChI=1S/C10H14N2O2S2/c1-2-16(13,14)12-9(10(11)15)8-6-4-3-5-7-8/h3-7,9,12H,2H2,1H3,(H2,11,15)
InChIKeyFDXZNDLZEMFCKY-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.95
Rot. Bonds5

About 2-(ethylsulfonylamino)-2-phenylethanethioamide

2-(ethylsulfonylamino)-2-phenylethanethioamide (PubChem CID 61121905) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-2-phenylethanethioamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-2-phenylethanethioamide
PubChem CID61121905
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC Name2-(ethylsulfonylamino)-2-phenylethanethioamide
SMILESCCS(=O)(=O)NC(C(N)=S)c1ccccc1
InChIInChI=1S/C10H14N2O2S2/c1-2-16(13,14)12-9(10(11)15)8-6-4-3-5-7-8/h3-7,9,12H,2H2,1H3,(H2,11,15)
InChIKeyFDXZNDLZEMFCKY-UHFFFAOYSA-N
XLogP0.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide
CID 55014069
tert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate
CID 81005292
2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide
CID 61454526
(2S)-2-(ethylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide
CID 110286664
2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
CID 114808176
2-[(3-methylphenyl)sulfonylamino]-2-phenylethanethioamide
CID 61123888
N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
CID 94197100
2-[(3-bromophenyl)sulfonylamino]-2-phenylethanethioamide
CID 61124489
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide
CID 82984600
N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide
CID 111448440
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide
CID 61119625
2-(butylsulfonylamino)-2-phenylacetic acid
CID 16775375

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-2-phenylethanethioamide?
The IUPAC name of 2-(ethylsulfonylamino)-2-phenylethanethioamide (CID 61121905) is 2-(ethylsulfonylamino)-2-phenylethanethioamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-2-phenylethanethioamide?
The canonical SMILES for 2-(ethylsulfonylamino)-2-phenylethanethioamide is CCS(=O)(=O)NC(C(N)=S)c1ccccc1.
What is the InChIKey of 2-(ethylsulfonylamino)-2-phenylethanethioamide?
The InChIKey is FDXZNDLZEMFCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c1-2-16(13,14)12-9(10(11)15)8-6-4-3-5-7-8/h3-7,9,12H,2H2,1H3,(H2,11,15).
What are the key properties of 2-(ethylsulfonylamino)-2-phenylethanethioamide?
2-(ethylsulfonylamino)-2-phenylethanethioamide has a molecular weight of 258.37 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-2-phenylethanethioamide is sourced from PubChem (CID 61121905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).