3-amino-N-phenyl-3-sulfanylidenepropanamide

C9H10N2OS — CID 2771319

IUPAC3-amino-N-phenyl-3-sulfanylidenepropanamide
SMILESNC(=S)CC(=O)Nc1ccccc1
InChIInChI=1S/C9H10N2OS/c10-8(13)6-9(12)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,13)(H,11,12)
InChIKeyDDBQKNUNQJKLNS-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.30
Rot. Bonds3

About 3-amino-N-phenyl-3-sulfanylidenepropanamide

3-amino-N-phenyl-3-sulfanylidenepropanamide (PubChem CID 2771319) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-amino-N-phenyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-phenyl-3-sulfanylidenepropanamide
PubChem CID2771319
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name3-amino-N-phenyl-3-sulfanylidenepropanamide
SMILESNC(=S)CC(=O)Nc1ccccc1
InChIInChI=1S/C9H10N2OS/c10-8(13)6-9(12)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,13)(H,11,12)
InChIKeyDDBQKNUNQJKLNS-UHFFFAOYSA-N
XLogP1.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetanilide
CID 904
2-Methylacetanilide
CID 12107
m-Aminoacetanilide
CID 7604
4-Aminoacetanilide
CID 31230
Merbarone
CID 4990817
Acetoacetanilide
CID 7592
Thioglycolic acid anilide
CID 10382
N-Phenylethanethioamide
CID 820777
2-Aminoacetanilide
CID 208384
N-(4-Iodophenyl)acetamide
CID 12147
N-Phenylbutanamide
CID 14323
Malonanilide
CID 69298

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-phenyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-phenyl-3-sulfanylidenepropanamide (CID 2771319) is 3-amino-N-phenyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-phenyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-phenyl-3-sulfanylidenepropanamide is NC(=S)CC(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-N-phenyl-3-sulfanylidenepropanamide?
The InChIKey is DDBQKNUNQJKLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c10-8(13)6-9(12)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,13)(H,11,12).
What are the key properties of 3-amino-N-phenyl-3-sulfanylidenepropanamide?
3-amino-N-phenyl-3-sulfanylidenepropanamide has a molecular weight of 194.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-phenyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 2771319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).