N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide

C9H15F3N2O2S — CID 82908467

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
SMILESO=C(C1CSCCN1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O2S/c10-9(11,12)6-14(2-3-15)8(16)7-5-17-4-1-13-7/h7,13,15H,1-6H2
InChIKeyZQICIDRLVZFFPH-UHFFFAOYSA-N
MW272.29 g/mol
LogP0.07
Rot. Bonds4

About N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide (PubChem CID 82908467) has the molecular formula C9H15F3N2O2S and a molecular weight of 272.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
PubChem CID82908467
Molecular FormulaC9H15F3N2O2S
Molecular Weight272.29 g/mol
Exact Mass272.08
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
SMILESO=C(C1CSCCN1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O2S/c10-9(11,12)6-14(2-3-15)8(16)7-5-17-4-1-13-7/h7,13,15H,1-6H2
InChIKeyZQICIDRLVZFFPH-UHFFFAOYSA-N
XLogP0.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide
CID 82897683
N,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide
CID 82909487
N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide
CID 82906208
N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide
CID 82908136
N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82917729
2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid
CID 82916144
methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate
CID 82909407
methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60947149
N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide
CID 82916414
(2S,5R)-2-N,2-N,5-N,5-N-tetrakis(2-hydroxyethyl)piperazine-2,5-dicarboxamide
CID 132520855
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 103915671
(2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 93371950

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide (CID 82908467) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide is O=C(C1CSCCN1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide?
The InChIKey is ZQICIDRLVZFFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2S/c10-9(11,12)6-14(2-3-15)8(16)7-5-17-4-1-13-7/h7,13,15H,1-6H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide has a molecular weight of 272.29 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).