N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H15F3N2OS — CID 107296147

IUPACN-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1CCSC1
InChIInChI=1S/C9H15F3N2OS/c10-9(11,12)6-13-4-8(15)14-3-7-1-2-16-5-7/h7,13H,1-6H2,(H,14,15)
InChIKeyUDLBODRFZOFMKO-UHFFFAOYSA-N
MW256.29 g/mol
LogP1.01
Rot. Bonds5

About N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 107296147) has the molecular formula C9H15F3N2OS and a molecular weight of 256.29 g/mol. Its IUPAC name is N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID107296147
Molecular FormulaC9H15F3N2OS
Molecular Weight256.29 g/mol
Exact Mass256.09
IUPAC NameN-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1CCSC1
InChIInChI=1S/C9H15F3N2OS/c10-9(11,12)6-13-4-8(15)14-3-7-1-2-16-5-7/h7,13H,1-6H2,(H,14,15)
InChIKeyUDLBODRFZOFMKO-UHFFFAOYSA-N
XLogP1.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylsulfanylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60958099
2-[(1,1-dioxothiolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60976405
3-(2,2,2-Trifluoroethylamino)thiolane-3-carboxamide
CID 60998058
2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 63967147
N-[2-(ethylamino)-2-oxoethyl]-2-[2-(trifluoromethyl)-1,3-dithiolan-2-yl]acetamide
CID 71910178
N-(thiolan-2-ylmethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 75447784
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78931869
N-(2-methyl-3-methylsulfanylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958255
N-(3-methylsulfanylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78995533
N-methyl-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261261
N-(thiolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 80403301
N-[(2-methylthiolan-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 80528618

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 107296147) is N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCC1CCSC1.
What is the InChIKey of N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is UDLBODRFZOFMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2OS/c10-9(11,12)6-13-4-8(15)14-3-7-1-2-16-5-7/h7,13H,1-6H2,(H,14,15).
What are the key properties of N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 256.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 107296147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).