N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylsulfanylacetamide

C10H13N3O2S — CID 77021723

IUPACN-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccccc1C(N)=NO
InChIInChI=1S/C10H13N3O2S/c1-16-6-9(14)12-8-5-3-2-4-7(8)10(11)13-15/h2-5,15H,6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyGYYJKBCZIRSTKG-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.08
Rot. Bonds4

About N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylsulfanylacetamide

N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylsulfanylacetamide (PubChem CID 77021723) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylsulfanylacetamide
PubChem CID77021723
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC NameN-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccccc1C(N)=NO
InChIInChI=1S/C10H13N3O2S/c1-16-6-9(14)12-8-5-3-2-4-7(8)10(11)13-15/h2-5,15H,6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyGYYJKBCZIRSTKG-UHFFFAOYSA-N
XLogP1.08
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 139085269
N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(2-hydroxyphenyl)acetamide
CID 80723368
N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2,3-dimethylbutanamide
CID 77015744
1-benzyl-3-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]urea
CID 107654444
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-(2-tert-butylphenyl)-2-methylsulfanylacetamide
CID 67575618
N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide
CID 43600953
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-3-methylsulfanylpropanamide
CID 107800712
N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide
CID 103479840
2-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]benzamide
CID 107771195
5-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylbenzamide
CID 76932769
2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide
CID 76945644

Frequently Asked Questions

What is the IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylsulfanylacetamide (CID 77021723) is N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylsulfanylacetamide is CSCC(=O)Nc1ccccc1C(N)=NO.
What is the InChIKey of N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylsulfanylacetamide?
The InChIKey is GYYJKBCZIRSTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-16-6-9(14)12-8-5-3-2-4-7(8)10(11)13-15/h2-5,15H,6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylsulfanylacetamide?
N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylsulfanylacetamide has a molecular weight of 239.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 77021723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).