N-[3-(trifluoromethyl)cyclohexyl]thiomorpholine-3-carboxamide

C12H19F3N2OS — CID 82908518

IUPACN-[3-(trifluoromethyl)cyclohexyl]thiomorpholine-3-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)C1CSCCN1
InChIInChI=1S/C12H19F3N2OS/c13-12(14,15)8-2-1-3-9(6-8)17-11(18)10-7-19-5-4-16-10/h8-10,16H,1-7H2,(H,17,18)
InChIKeyPDYZWFFCVXBBJO-UHFFFAOYSA-N
MW296.36 g/mol
LogP1.93
Rot. Bonds2

About N-[3-(trifluoromethyl)cyclohexyl]thiomorpholine-3-carboxamide

N-[3-(trifluoromethyl)cyclohexyl]thiomorpholine-3-carboxamide (PubChem CID 82908518) has the molecular formula C12H19F3N2OS and a molecular weight of 296.36 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]thiomorpholine-3-carboxamide
PubChem CID82908518
Molecular FormulaC12H19F3N2OS
Molecular Weight296.36 g/mol
Exact Mass296.12
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]thiomorpholine-3-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)C1CSCCN1
InChIInChI=1S/C12H19F3N2OS/c13-12(14,15)8-2-1-3-9(6-8)17-11(18)10-7-19-5-4-16-10/h8-10,16H,1-7H2,(H,17,18)
InChIKeyPDYZWFFCVXBBJO-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-thia-4-azaspiro[5.5]undecan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71976339
N-propan-2-yl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide
CID 72103318
N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide
CID 43711820
N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide
CID 43712690
N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide
CID 43712749
3-propanoyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide
CID 53554537
(2S)-2-amino-4-methylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 61177899
(2S)-2-amino-4-methylsulfanyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide
CID 61179917
(2S)-2-amino-4-methylsulfanyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 61180467
2-thiomorpholin-3-yl-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 66421241
2-thiomorpholin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 66422435
2-thiomorpholin-3-yl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 66422635

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]thiomorpholine-3-carboxamide (CID 82908518) is N-[3-(trifluoromethyl)cyclohexyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]thiomorpholine-3-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)C1CSCCN1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]thiomorpholine-3-carboxamide?
The InChIKey is PDYZWFFCVXBBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2OS/c13-12(14,15)8-2-1-3-9(6-8)17-11(18)10-7-19-5-4-16-10/h8-10,16H,1-7H2,(H,17,18).
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]thiomorpholine-3-carboxamide?
N-[3-(trifluoromethyl)cyclohexyl]thiomorpholine-3-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).