2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-(2-methylpropyl)amino]acetamide

C10H18F3N3OS — CID 103368655

IUPAC2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)CC(C(N)=S)C(F)(F)F
InChIInChI=1S/C10H18F3N3OS/c1-6(2)3-16(5-8(14)17)4-7(9(15)18)10(11,12)13/h6-7H,3-5H2,1-2H3,(H2,14,17)(H2,15,18)
InChIKeyZJEFDUYKGIMPRZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.89
Rot. Bonds7

About 2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-(2-methylpropyl)amino]acetamide

2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-(2-methylpropyl)amino]acetamide (PubChem CID 103368655) has the molecular formula C10H18F3N3OS and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-(2-methylpropyl)amino]acetamide
PubChem CID103368655
Molecular FormulaC10H18F3N3OS
Molecular Weight285.34 g/mol
Exact Mass285.11
IUPAC Name2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)CC(C(N)=S)C(F)(F)F
InChIInChI=1S/C10H18F3N3OS/c1-6(2)3-16(5-8(14)17)4-7(9(15)18)10(11,12)13/h6-7H,3-5H2,1-2H3,(H2,14,17)(H2,15,18)
InChIKeyZJEFDUYKGIMPRZ-UHFFFAOYSA-N
XLogP0.89
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-3,3,3-trifluoropropanethioamide
CID 103368657
2-[2-methylpropyl(prop-2-ynyl)amino]acetamide
CID 60969370
2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide
CID 65246940
3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide
CID 103368794
2-[3-cyanopropyl(2-methylpropyl)amino]acetamide
CID 60969371
2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide
CID 62922956
2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 64566123
2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide
CID 103367872
2-[bis(2-methylpropyl)amino]acetyl chloride
CID 39254720
3,3,3-trifluoro-2-[[methyl(2-methylpropyl)amino]methyl]propanoic acid
CID 80996963
2-[[1-(2-aminoethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide
CID 65480537
hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate
CID 66338779

Frequently Asked Questions

What is the IUPAC name of 2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-(2-methylpropyl)amino]acetamide (CID 103368655) is 2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)CC(C(N)=S)C(F)(F)F.
What is the InChIKey of 2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-(2-methylpropyl)amino]acetamide?
The InChIKey is ZJEFDUYKGIMPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3OS/c1-6(2)3-16(5-8(14)17)4-7(9(15)18)10(11,12)13/h6-7H,3-5H2,1-2H3,(H2,14,17)(H2,15,18).
What are the key properties of 2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-(2-methylpropyl)amino]acetamide?
2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-(2-methylpropyl)amino]acetamide has a molecular weight of 285.34 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 103368655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).