2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide

C11H19F3N2S — CID 65496181

IUPAC2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCC(C)N(CC(F)(F)F)CC1(CC(N)=S)CC1
InChIInChI=1S/C11H19F3N2S/c1-8(2)16(7-11(12,13)14)6-10(3-4-10)5-9(15)17/h8H,3-7H2,1-2H3,(H2,15,17)
InChIKeyHNMNMSFKRWUVMO-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.72
Rot. Bonds6

About 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide

2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide (PubChem CID 65496181) has the molecular formula C11H19F3N2S and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide
PubChem CID65496181
Molecular FormulaC11H19F3N2S
Molecular Weight268.35 g/mol
Exact Mass268.12
IUPAC Name2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCC(C)N(CC(F)(F)F)CC1(CC(N)=S)CC1
InChIInChI=1S/C11H19F3N2S/c1-8(2)16(7-11(12,13)14)6-10(3-4-10)5-9(15)17/h8H,3-7H2,1-2H3,(H2,15,17)
InChIKeyHNMNMSFKRWUVMO-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide (CID 65496181) is 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide is CC(C)N(CC(F)(F)F)CC1(CC(N)=S)CC1.
What is the InChIKey of 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide?
The InChIKey is HNMNMSFKRWUVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2S/c1-8(2)16(7-11(12,13)14)6-10(3-4-10)5-9(15)17/h8H,3-7H2,1-2H3,(H2,15,17).
What are the key properties of 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide?
2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide has a molecular weight of 268.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65496181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).