2-imino-2-(4-sulfanylphenyl)acetamide;methanamine

C9H13N3OS — CID 143392409

IUPAC2-imino-2-(4-sulfanylphenyl)acetamide;methanamine
SMILESCN.[H]/N=C(\C(N)=O)c1ccc(S)cc1
InChIInChI=1S/C8H8N2OS.CH5N/c9-7(8(10)11)5-1-3-6(12)4-2-5;1-2/h1-4,9,12H,(H2,10,11);2H2,1H3/b9-7-;
InChIKeyAJKPUHTYMSWDMK-VILQZVERSA-N
MW211.29 g/mol
LogP0.40
Rot. Bonds2

About 2-imino-2-(4-sulfanylphenyl)acetamide;methanamine

2-imino-2-(4-sulfanylphenyl)acetamide;methanamine (PubChem CID 143392409) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-imino-2-(4-sulfanylphenyl)acetamide;methanamine.

Molecular Properties

Compound Name2-imino-2-(4-sulfanylphenyl)acetamide;methanamine
PubChem CID143392409
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name2-imino-2-(4-sulfanylphenyl)acetamide;methanamine
SMILESCN.[H]/N=C(\C(N)=O)c1ccc(S)cc1
InChIInChI=1S/C8H8N2OS.CH5N/c9-7(8(10)11)5-1-3-6(12)4-2-5;1-2/h1-4,9,12H,(H2,10,11);2H2,1H3/b9-7-;
InChIKeyAJKPUHTYMSWDMK-VILQZVERSA-N
XLogP0.40
TPSA92.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-imino-2-phenylacetamide
CID 18431878
ethane;1-imino-1-(4-sulfanylphenyl)propan-2-one;3-methoxypropan-1-ol;dihydrate
CID 143392454
2-[4-[[2-hydroxyethyl(methyl)amino]-methylidene-oxo-λ6-sulfanyl]phenyl]-2-iminoacetamide
CID 87419701
acetic acid;1-(4-sulfanylphenyl)ethanone
CID 21280613
2-imino-2-[4-[(3S)-oxolan-3-yl]sulfinylphenyl]acetamide
CID 143392271
2-(4-cyclopropylsulfanylphenyl)-2-iminoacetamide;1-methoxypropan-2-ol
CID 143392421
1-(4-methylphenyl)-2-(4-sulfanylphenyl)ethane-1,2-dione
CID 143151917
1-[4-(4-sulfanylphenyl)phenyl]ethanone
CID 12851397
ethyl 2-imino-2-(4-iodophenyl)acetate
CID 146651641
2-methyl-1-(4-sulfanylphenyl)propan-1-one
CID 13166665
N-(4-amino-4-oxobutan-2-yl)-4-sulfanylbenzamide
CID 107035767
2-(4-chlorophenyl)-2-iminoethanethioamide
CID 142642953

Frequently Asked Questions

What is the IUPAC name of 2-imino-2-(4-sulfanylphenyl)acetamide;methanamine?
The IUPAC name of 2-imino-2-(4-sulfanylphenyl)acetamide;methanamine (CID 143392409) is 2-imino-2-(4-sulfanylphenyl)acetamide;methanamine.
What is the SMILES notation for 2-imino-2-(4-sulfanylphenyl)acetamide;methanamine?
The canonical SMILES for 2-imino-2-(4-sulfanylphenyl)acetamide;methanamine is CN.[H]/N=C(\C(N)=O)c1ccc(S)cc1.
What is the InChIKey of 2-imino-2-(4-sulfanylphenyl)acetamide;methanamine?
The InChIKey is AJKPUHTYMSWDMK-VILQZVERSA-N. The full InChI is InChI=1S/C8H8N2OS.CH5N/c9-7(8(10)11)5-1-3-6(12)4-2-5;1-2/h1-4,9,12H,(H2,10,11);2H2,1H3/b9-7-;.
What are the key properties of 2-imino-2-(4-sulfanylphenyl)acetamide;methanamine?
2-imino-2-(4-sulfanylphenyl)acetamide;methanamine has a molecular weight of 211.29 g/mol, XLogP of 0.40, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-(4-sulfanylphenyl)acetamide;methanamine is sourced from PubChem (CID 143392409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).