(1-oxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C10H15F3N2O2S — CID 63709678

IUPAC(1-oxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CCS(=O)CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H15F3N2O2S/c11-10(12,13)9(1-2-14-7-9)8(16)15-3-5-18(17)6-4-15/h14H,1-7H2
InChIKeyCQWVVYGOLNARQP-UHFFFAOYSA-N
MW284.30 g/mol
LogP0.12
Rot. Bonds1

About (1-oxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

(1-oxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 63709678) has the molecular formula C10H15F3N2O2S and a molecular weight of 284.30 g/mol. Its IUPAC name is (1-oxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(1-oxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID63709678
Molecular FormulaC10H15F3N2O2S
Molecular Weight284.30 g/mol
Exact Mass284.08
IUPAC Name(1-oxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CCS(=O)CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H15F3N2O2S/c11-10(12,13)9(1-2-14-7-9)8(16)15-3-5-18(17)6-4-15/h14H,1-7H2
InChIKeyCQWVVYGOLNARQP-UHFFFAOYSA-N
XLogP0.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-oxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (1-oxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 63709678) is (1-oxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (1-oxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (1-oxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(N1CCS(=O)CC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of (1-oxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is CQWVVYGOLNARQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2S/c11-10(12,13)9(1-2-14-7-9)8(16)15-3-5-18(17)6-4-15/h14H,1-7H2.
What are the key properties of (1-oxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
(1-oxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 284.30 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 63709678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).