N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide

C10H18F3N3OS — CID 60891748

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCN(CCC(=O)N(C)CCC(N)=S)CC(F)(F)F
InChIInChI=1S/C10H18F3N3OS/c1-15(7-10(11,12)13)5-4-9(17)16(2)6-3-8(14)18/h3-7H2,1-2H3,(H2,14,18)
InChIKeyHHTWHDBKMMZWHS-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.01
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide (PubChem CID 60891748) has the molecular formula C10H18F3N3OS and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
PubChem CID60891748
Molecular FormulaC10H18F3N3OS
Molecular Weight285.33 g/mol
Exact Mass285.11
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCN(CCC(=O)N(C)CCC(N)=S)CC(F)(F)F
InChIInChI=1S/C10H18F3N3OS/c1-15(7-10(11,12)13)5-4-9(17)16(2)6-3-8(14)18/h3-7H2,1-2H3,(H2,14,18)
InChIKeyHHTWHDBKMMZWHS-UHFFFAOYSA-N
XLogP1.01
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide (CID 60891748) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide is CN(CCC(=O)N(C)CCC(N)=S)CC(F)(F)F.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The InChIKey is HHTWHDBKMMZWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3OS/c1-15(7-10(11,12)13)5-4-9(17)16(2)6-3-8(14)18/h3-7H2,1-2H3,(H2,14,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide has a molecular weight of 285.33 g/mol, XLogP of 1.01, 7 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)-N-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide is sourced from PubChem (CID 60891748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).