3-amino-N-methyl-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide

C6H9F3N2OS — CID 60891970

IUPAC3-amino-N-methyl-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide
SMILESCN(CC(F)(F)F)C(=O)CC(N)=S
InChIInChI=1S/C6H9F3N2OS/c1-11(3-6(7,8)9)5(12)2-4(10)13/h2-3H2,1H3,(H2,10,13)
InChIKeyCZJRVNPZQWFZOI-UHFFFAOYSA-N
MW214.21 g/mol
LogP0.68
Rot. Bonds3

About 3-amino-N-methyl-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide

3-amino-N-methyl-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 60891970) has the molecular formula C6H9F3N2OS and a molecular weight of 214.21 g/mol. Its IUPAC name is 3-amino-N-methyl-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID60891970
Molecular FormulaC6H9F3N2OS
Molecular Weight214.21 g/mol
Exact Mass214.04
IUPAC Name3-amino-N-methyl-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide
SMILESCN(CC(F)(F)F)C(=O)CC(N)=S
InChIInChI=1S/C6H9F3N2OS/c1-11(3-6(7,8)9)5(12)2-4(10)13/h2-3H2,1H3,(H2,10,13)
InChIKeyCZJRVNPZQWFZOI-UHFFFAOYSA-N
XLogP0.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-carbamothioylethyl)-N-methylacetamide
CID 28387593
N-(3-amino-3-sulfanylidenepropyl)-3,3,3-trifluoro-N-methylpropanamide
CID 28387700
3-amino-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide
CID 28942526
N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide
CID 55011185
3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60890804
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 60891748
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3,3,3-trifluoropropanamide
CID 61574976
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3,3,3-trifluoropropanamide
CID 61576375
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3,3,3-trifluoro-N-methylpropanamide
CID 61577447
N-(3-amino-3-sulfanylidenepropyl)-3,3,3-trifluoro-N-propan-2-ylpropanamide
CID 61585354
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3,3,3-trifluoropropanamide
CID 61588249
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanamide
CID 61604306

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-amino-N-methyl-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide (CID 60891970) is 3-amino-N-methyl-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-amino-N-methyl-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-amino-N-methyl-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide is CN(CC(F)(F)F)C(=O)CC(N)=S.
What is the InChIKey of 3-amino-N-methyl-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is CZJRVNPZQWFZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2OS/c1-11(3-6(7,8)9)5(12)2-4(10)13/h2-3H2,1H3,(H2,10,13).
What are the key properties of 3-amino-N-methyl-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide?
3-amino-N-methyl-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 214.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 60891970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).