thiomorpholin-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C10H15F3N2OS — CID 63709846

IUPACthiomorpholin-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CCSCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H15F3N2OS/c11-10(12,13)9(1-2-14-7-9)8(16)15-3-5-17-6-4-15/h14H,1-7H2
InChIKeyYJBISXQXANHXMM-UHFFFAOYSA-N
MW268.30 g/mol
LogP1.10
Rot. Bonds1

About thiomorpholin-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

thiomorpholin-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 63709846) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is thiomorpholin-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Namethiomorpholin-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID63709846
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Namethiomorpholin-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CCSCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H15F3N2OS/c11-10(12,13)9(1-2-14-7-9)8(16)15-3-5-17-6-4-15/h14H,1-7H2
InChIKeyYJBISXQXANHXMM-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiomorpholin-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of thiomorpholin-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 63709846) is thiomorpholin-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for thiomorpholin-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for thiomorpholin-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(N1CCSCC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of thiomorpholin-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is YJBISXQXANHXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c11-10(12,13)9(1-2-14-7-9)8(16)15-3-5-17-6-4-15/h14H,1-7H2.
What are the key properties of thiomorpholin-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
thiomorpholin-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 268.30 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 63709846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).