N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide

C11H20F3N3OS — CID 55011185

IUPACN-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide
SMILESCCN(CCC(=O)N(C)CCC(N)=S)CC(F)(F)F
InChIInChI=1S/C11H20F3N3OS/c1-3-17(8-11(12,13)14)7-5-10(18)16(2)6-4-9(15)19/h3-8H2,1-2H3,(H2,15,19)
InChIKeyPRKWTSHBRWDHDR-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.40
Rot. Bonds8

About N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide

N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide (PubChem CID 55011185) has the molecular formula C11H20F3N3OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide
PubChem CID55011185
Molecular FormulaC11H20F3N3OS
Molecular Weight299.36 g/mol
Exact Mass299.13
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide
SMILESCCN(CCC(=O)N(C)CCC(N)=S)CC(F)(F)F
InChIInChI=1S/C11H20F3N3OS/c1-3-17(8-11(12,13)14)7-5-10(18)16(2)6-4-9(15)19/h3-8H2,1-2H3,(H2,15,19)
InChIKeyPRKWTSHBRWDHDR-UHFFFAOYSA-N
XLogP1.40
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide (CID 55011185) is N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide is CCN(CCC(=O)N(C)CCC(N)=S)CC(F)(F)F.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide?
The InChIKey is PRKWTSHBRWDHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3OS/c1-3-17(8-11(12,13)14)7-5-10(18)16(2)6-4-9(15)19/h3-8H2,1-2H3,(H2,15,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide?
N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide has a molecular weight of 299.36 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide is sourced from PubChem (CID 55011185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).