thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone

C17H21F3N2O2S — CID 146078359

IUPACthiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone
SMILESO=C(C1CN(Cc2ccc(C(F)(F)F)cc2)CCO1)N1CCSCC1
InChIInChI=1S/C17H21F3N2O2S/c18-17(19,20)14-3-1-13(2-4-14)11-21-5-8-24-15(12-21)16(23)22-6-9-25-10-7-22/h1-4,15H,5-12H2
InChIKeyBDHKRVDEFIPHCB-UHFFFAOYSA-N
MW374.43 g/mol
LogP2.48
Rot. Bonds3

About thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone

thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone (PubChem CID 146078359) has the molecular formula C17H21F3N2O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone.

Molecular Properties

Compound Namethiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone
PubChem CID146078359
Molecular FormulaC17H21F3N2O2S
Molecular Weight374.43 g/mol
Exact Mass374.13
IUPAC Namethiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone
SMILESO=C(C1CN(Cc2ccc(C(F)(F)F)cc2)CCO1)N1CCSCC1
InChIInChI=1S/C17H21F3N2O2S/c18-17(19,20)14-3-1-13(2-4-14)11-21-5-8-24-15(12-21)16(23)22-6-9-25-10-7-22/h1-4,15H,5-12H2
InChIKeyBDHKRVDEFIPHCB-UHFFFAOYSA-N
XLogP2.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078396
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078179
[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078593
[4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078304
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800618
1,4-dioxan-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]methanone
CID 78866185
[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981397
[4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146077909
4-[[4-(trifluoromethyl)phenyl]methyl]morpholine-2-carbonitrile
CID 78946009
[4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800439
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxylic acid
CID 115351310
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]acetamide
CID 163352409

Frequently Asked Questions

What is the IUPAC name of thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone?
The IUPAC name of thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone (CID 146078359) is thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone.
What is the SMILES notation for thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone?
The canonical SMILES for thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone is O=C(C1CN(Cc2ccc(C(F)(F)F)cc2)CCO1)N1CCSCC1.
What is the InChIKey of thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone?
The InChIKey is BDHKRVDEFIPHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2S/c18-17(19,20)14-3-1-13(2-4-14)11-21-5-8-24-15(12-21)16(23)22-6-9-25-10-7-22/h1-4,15H,5-12H2.
What are the key properties of thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone?
thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone has a molecular weight of 374.43 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone is sourced from PubChem (CID 146078359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).