2-thiomorpholin-3-yl-N-[2-(trifluoromethyl)cyclohexyl]acetamide

C13H21F3N2OS — CID 66422635

IUPAC2-thiomorpholin-3-yl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CC1CSCCN1)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H21F3N2OS/c14-13(15,16)10-3-1-2-4-11(10)18-12(19)7-9-8-20-6-5-17-9/h9-11,17H,1-8H2,(H,18,19)
InChIKeyWCDISYWZMPAVQG-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.32
Rot. Bonds3

About 2-thiomorpholin-3-yl-N-[2-(trifluoromethyl)cyclohexyl]acetamide

2-thiomorpholin-3-yl-N-[2-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 66422635) has the molecular formula C13H21F3N2OS and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-thiomorpholin-3-yl-N-[2-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-thiomorpholin-3-yl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID66422635
Molecular FormulaC13H21F3N2OS
Molecular Weight310.39 g/mol
Exact Mass310.13
IUPAC Name2-thiomorpholin-3-yl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CC1CSCCN1)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H21F3N2OS/c14-13(15,16)10-3-1-2-4-11(10)18-12(19)7-9-8-20-6-5-17-9/h9-11,17H,1-8H2,(H,18,19)
InChIKeyWCDISYWZMPAVQG-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-3-yl-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-thiomorpholin-3-yl-N-[2-(trifluoromethyl)cyclohexyl]acetamide (CID 66422635) is 2-thiomorpholin-3-yl-N-[2-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-thiomorpholin-3-yl-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-thiomorpholin-3-yl-N-[2-(trifluoromethyl)cyclohexyl]acetamide is O=C(CC1CSCCN1)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 2-thiomorpholin-3-yl-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is WCDISYWZMPAVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2OS/c14-13(15,16)10-3-1-2-4-11(10)18-12(19)7-9-8-20-6-5-17-9/h9-11,17H,1-8H2,(H,18,19).
What are the key properties of 2-thiomorpholin-3-yl-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
2-thiomorpholin-3-yl-N-[2-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 310.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-3-yl-N-[2-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 66422635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).