N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide

C13H14F3NOS — CID 129479833

IUPACN-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC[C@H]1CCSC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NOS/c14-13(15,16)11-4-2-1-3-10(11)12(18)17-7-9-5-6-19-8-9/h1-4,9H,5-8H2,(H,17,18)/t9-/m1/s1
InChIKeyVCZOOGNWEULAAW-SECBINFHSA-N
MW289.32 g/mol
LogP3.19
Rot. Bonds3

About N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide

N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 129479833) has the molecular formula C13H14F3NOS and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID129479833
Molecular FormulaC13H14F3NOS
Molecular Weight289.32 g/mol
Exact Mass289.07
IUPAC NameN-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC[C@H]1CCSC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NOS/c14-13(15,16)11-4-2-1-3-10(11)12(18)17-7-9-5-6-19-8-9/h1-4,9H,5-8H2,(H,17,18)/t9-/m1/s1
InChIKeyVCZOOGNWEULAAW-SECBINFHSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-Mercapto-hexyl)-benzamide
CID 11447748
2-methyl-N-(2-oxothiolan-3-yl)benzamide
CID 2769113
4-tert-butyl-N-[2-(methylthio)ethyl]benzamide
CID 2191502
N-(2-tert-butylsulfanylethyl)benzamide
CID 2285404
N-(2-oxotetrahydrothiophen-3-yl)benzamide
CID 2843021
N-cyclohexyl-2-(trifluoromethyl)benzamide
CID 879783
N-(2-sulfanylethyl)benzamide
CID 11309882
2-methyl-N-[2-(phenylthio)ethyl]benzamide
CID 2282271
Benzamide, N-[2-(phenylthio)ethyl]-
CID 2282924
N-(2-benzylsulfanylethyl)-4-fluorobenzamide
CID 2284450
N-[2-(tert-butylthio)ethyl]-4-methylbenzamide
CID 2284918
2-fluoro-N-[2-(phenylthio)ethyl]benzamide
CID 6457810

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide (CID 129479833) is N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide is O=C(NC[C@H]1CCSC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is VCZOOGNWEULAAW-SECBINFHSA-N. The full InChI is InChI=1S/C13H14F3NOS/c14-13(15,16)11-4-2-1-3-10(11)12(18)17-7-9-5-6-19-8-9/h1-4,9H,5-8H2,(H,17,18)/t9-/m1/s1.
What are the key properties of N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide?
N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 289.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 129479833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).