3-[4-(2-amino-2-sulfanylideneethyl)phenyl]-1,1-dimethylurea

C11H15N3OS — CID 79154739

IUPAC3-[4-(2-amino-2-sulfanylideneethyl)phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(CC(N)=S)cc1
InChIInChI=1S/C11H15N3OS/c1-14(2)11(15)13-9-5-3-8(4-6-9)7-10(12)16/h3-6H,7H2,1-2H3,(H2,12,16)(H,13,15)
InChIKeyOMMGOGRTUUPFMK-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.61
Rot. Bonds3

About 3-[4-(2-amino-2-sulfanylideneethyl)phenyl]-1,1-dimethylurea

3-[4-(2-amino-2-sulfanylideneethyl)phenyl]-1,1-dimethylurea (PubChem CID 79154739) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-[4-(2-amino-2-sulfanylideneethyl)phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[4-(2-amino-2-sulfanylideneethyl)phenyl]-1,1-dimethylurea
PubChem CID79154739
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name3-[4-(2-amino-2-sulfanylideneethyl)phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(CC(N)=S)cc1
InChIInChI=1S/C11H15N3OS/c1-14(2)11(15)13-9-5-3-8(4-6-9)7-10(12)16/h3-6H,7H2,1-2H3,(H2,12,16)(H,13,15)
InChIKeyOMMGOGRTUUPFMK-UHFFFAOYSA-N
XLogP1.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-(2-amino-2-sulfanylideneethyl)phenyl]-1,1-dimethylurea 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

2-[4-(dimethylcarbamoylamino)phenyl]acetamide
CID 47203177
2-methylpropyl N-[4-(2-amino-2-sulfanylideneethyl)phenyl]carbamate
CID 62302077
4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide
CID 82179485
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3,3,3-trifluoropropanamide
CID 62303741
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide
CID 114752772
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66128409
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161528
4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide
CID 82179511
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]azepane-1-carboxamide
CID 79152198
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753009
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide
CID 62303729
methyl 4-(2-amino-2-sulfanylideneethyl)benzoate
CID 58127823

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-amino-2-sulfanylideneethyl)phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[4-(2-amino-2-sulfanylideneethyl)phenyl]-1,1-dimethylurea (CID 79154739) is 3-[4-(2-amino-2-sulfanylideneethyl)phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[4-(2-amino-2-sulfanylideneethyl)phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[4-(2-amino-2-sulfanylideneethyl)phenyl]-1,1-dimethylurea is CN(C)C(=O)Nc1ccc(CC(N)=S)cc1.
What is the InChIKey of 3-[4-(2-amino-2-sulfanylideneethyl)phenyl]-1,1-dimethylurea?
The InChIKey is OMMGOGRTUUPFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-14(2)11(15)13-9-5-3-8(4-6-9)7-10(12)16/h3-6H,7H2,1-2H3,(H2,12,16)(H,13,15).
What are the key properties of 3-[4-(2-amino-2-sulfanylideneethyl)phenyl]-1,1-dimethylurea?
3-[4-(2-amino-2-sulfanylideneethyl)phenyl]-1,1-dimethylurea has a molecular weight of 237.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-amino-2-sulfanylideneethyl)phenyl]-1,1-dimethylurea is sourced from PubChem (CID 79154739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).