N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiomorpholine-3-carboxamide

C13H21F3N2O2S — CID 82905448

IUPACN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiomorpholine-3-carboxamide
SMILESO=C(NC1CCCC(OCC(F)(F)F)C1)C1CSCCN1
InChIInChI=1S/C13H21F3N2O2S/c14-13(15,16)8-20-10-3-1-2-9(6-10)18-12(19)11-7-21-5-4-17-11/h9-11,17H,1-8H2,(H,18,19)
InChIKeyBYOZVLZLKONXDQ-UHFFFAOYSA-N
MW326.38 g/mol
LogP1.70
Rot. Bonds4

About N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiomorpholine-3-carboxamide

N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiomorpholine-3-carboxamide (PubChem CID 82905448) has the molecular formula C13H21F3N2O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiomorpholine-3-carboxamide
PubChem CID82905448
Molecular FormulaC13H21F3N2O2S
Molecular Weight326.38 g/mol
Exact Mass326.13
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiomorpholine-3-carboxamide
SMILESO=C(NC1CCCC(OCC(F)(F)F)C1)C1CSCCN1
InChIInChI=1S/C13H21F3N2O2S/c14-13(15,16)8-20-10-3-1-2-9(6-10)18-12(19)11-7-21-5-4-17-11/h9-11,17H,1-8H2,(H,18,19)
InChIKeyBYOZVLZLKONXDQ-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 63681193
2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate
CID 65173974
5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide
CID 78982699
2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43698425
3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43696429
2-amino-2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 60865754
2-methyl-2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 62836042
4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
CID 43698431
(2S,3S)-2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
CID 61155302
N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide
CID 82905560
6-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1H-pyridazine-3-carboxamide
CID 42957235
4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide
CID 115740732

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiomorpholine-3-carboxamide (CID 82905448) is N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiomorpholine-3-carboxamide is O=C(NC1CCCC(OCC(F)(F)F)C1)C1CSCCN1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiomorpholine-3-carboxamide?
The InChIKey is BYOZVLZLKONXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2S/c14-13(15,16)8-20-10-3-1-2-9(6-10)18-12(19)11-7-21-5-4-17-11/h9-11,17H,1-8H2,(H,18,19).
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiomorpholine-3-carboxamide?
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiomorpholine-3-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82905448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).