2-(benzylsulfonylamino)ethanethioamide

C9H12N2O2S2 — CID 61127504

IUPAC2-(benzylsulfonylamino)ethanethioamide
SMILESNC(=S)CNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C9H12N2O2S2/c10-9(14)6-11-15(12,13)7-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H2,10,14)
InChIKeyJYIPCMJENAWMNS-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.39
Rot. Bonds5

About 2-(benzylsulfonylamino)ethanethioamide

2-(benzylsulfonylamino)ethanethioamide (PubChem CID 61127504) has the molecular formula C9H12N2O2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(benzylsulfonylamino)ethanethioamide.

Molecular Properties

Compound Name2-(benzylsulfonylamino)ethanethioamide
PubChem CID61127504
Molecular FormulaC9H12N2O2S2
Molecular Weight244.34 g/mol
Exact Mass244.03
IUPAC Name2-(benzylsulfonylamino)ethanethioamide
SMILESNC(=S)CNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C9H12N2O2S2/c10-9(14)6-11-15(12,13)7-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H2,10,14)
InChIKeyJYIPCMJENAWMNS-UHFFFAOYSA-N
XLogP0.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.39
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

(benzylsulfonylamino)urea
CID 21225494
N-(bromomethyl)-1-phenylmethanesulfonamide
CID 174927038
(2-amino-2-oxo-1-phenylethyl) 2-(benzylsulfonylamino)acetate
CID 47017349
2-(benzylsulfonylamino)-N-(2-phenylethyl)acetamide
CID 39192170
2-(benzylsulfonylamino)-N,N-diethylacetamide
CID 47098437
N-(2-oxoethyl)-1-phenylmethanesulfonamide
CID 89052958
N-iodo-1-phenylmethanesulfonamide
CID 88874569
2-[(3-aminophenyl)methylsulfonylamino]acetamide
CID 43255729
N-(3,3-diphenylpropyl)-1-phenylmethanesulfonamide
CID 19680983
N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide
CID 43316161
N'-hydroxy-2-(2-phenylethylsulfonylamino)ethanimidamide
CID 80687011
2-[(2-carbamothioylphenyl)methylsulfonylamino]acetamide
CID 28518424

Frequently Asked Questions

What is the IUPAC name of 2-(benzylsulfonylamino)ethanethioamide?
The IUPAC name of 2-(benzylsulfonylamino)ethanethioamide (CID 61127504) is 2-(benzylsulfonylamino)ethanethioamide.
What is the SMILES notation for 2-(benzylsulfonylamino)ethanethioamide?
The canonical SMILES for 2-(benzylsulfonylamino)ethanethioamide is NC(=S)CNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-(benzylsulfonylamino)ethanethioamide?
The InChIKey is JYIPCMJENAWMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S2/c10-9(14)6-11-15(12,13)7-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H2,10,14).
What are the key properties of 2-(benzylsulfonylamino)ethanethioamide?
2-(benzylsulfonylamino)ethanethioamide has a molecular weight of 244.34 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylsulfonylamino)ethanethioamide is sourced from PubChem (CID 61127504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).