N-[2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]thiophen-3-yl]acetamide

C11H13F3N2OS — CID 106210423

IUPACN-[2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C11H13F3N2OS/c1-7(17)16-8-2-5-18-9(8)6-15-10(3-4-10)11(12,13)14/h2,5,15H,3-4,6H2,1H3,(H,16,17)
InChIKeyQLDXDXSVCXICTR-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.89
Rot. Bonds4

About N-[2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]thiophen-3-yl]acetamide

N-[2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]thiophen-3-yl]acetamide (PubChem CID 106210423) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is N-[2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]thiophen-3-yl]acetamide
PubChem CID106210423
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC NameN-[2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C11H13F3N2OS/c1-7(17)16-8-2-5-18-9(8)6-15-10(3-4-10)11(12,13)14/h2,5,15H,3-4,6H2,1H3,(H,16,17)
InChIKeyQLDXDXSVCXICTR-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]thiophen-3-yl]acetamide (CID 106210423) is N-[2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNC1(C(F)(F)F)CC1.
What is the InChIKey of N-[2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]thiophen-3-yl]acetamide?
The InChIKey is QLDXDXSVCXICTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c1-7(17)16-8-2-5-18-9(8)6-15-10(3-4-10)11(12,13)14/h2,5,15H,3-4,6H2,1H3,(H,16,17).
What are the key properties of N-[2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]thiophen-3-yl]acetamide?
N-[2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]thiophen-3-yl]acetamide has a molecular weight of 278.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 106210423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).