2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide

C11H11FN2OS — CID 10130948

IUPAC2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide
SMILESO=C(Nc1ccc(F)cc1)C(=S)NC1CC1
InChIInChI=1S/C11H11FN2OS/c12-7-1-3-8(4-2-7)13-10(15)11(16)14-9-5-6-9/h1-4,9H,5-6H2,(H,13,15)(H,14,16)
InChIKeyVPWZSRQUPPRXCA-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.84
Rot. Bonds2

About 2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide

2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide (PubChem CID 10130948) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide
PubChem CID10130948
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide
SMILESO=C(Nc1ccc(F)cc1)C(=S)NC1CC1
InChIInChI=1S/C11H11FN2OS/c12-7-1-3-8(4-2-7)13-10(15)11(16)14-9-5-6-9/h1-4,9H,5-6H2,(H,13,15)(H,14,16)
InChIKeyVPWZSRQUPPRXCA-UHFFFAOYSA-N
XLogP1.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide 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-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide
CID 5206285
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
1-(4-fluorophenyl)-3-[4-[[4-[(4-fluorophenyl)carbamothioylamino]cyclohexyl]methyl]cyclohexyl]thiourea
CID 4137701
2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide
CID 2975664
4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 47069861
1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24651175
N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 9165511
N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083672
methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate
CID 115616958
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide
CID 3432292

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide?
The IUPAC name of 2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide (CID 10130948) is 2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide is O=C(Nc1ccc(F)cc1)C(=S)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide?
The InChIKey is VPWZSRQUPPRXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-7-1-3-8(4-2-7)13-10(15)11(16)14-9-5-6-9/h1-4,9H,5-6H2,(H,13,15)(H,14,16).
What are the key properties of 2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide?
2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide has a molecular weight of 238.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide is sourced from PubChem (CID 10130948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).