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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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).