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

C10H15F3N2O3S — CID 55227455

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CCS(=O)(=O)CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H15F3N2O3S/c11-10(12,13)9(1-2-14-7-9)8(16)15-3-5-19(17,18)6-4-15/h14H,1-7H2
InChIKeyDCCVNAKHIUZRTG-UHFFFAOYSA-N
MW300.30 g/mol
LogP-0.21
Rot. Bonds1

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

(1,1-dioxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 55227455) has the molecular formula C10H15F3N2O3S and a molecular weight of 300.30 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID55227455
Molecular FormulaC10H15F3N2O3S
Molecular Weight300.30 g/mol
Exact Mass300.08
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CCS(=O)(=O)CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H15F3N2O3S/c11-10(12,13)9(1-2-14-7-9)8(16)15-3-5-19(17,18)6-4-15/h14H,1-7H2
InChIKeyDCCVNAKHIUZRTG-UHFFFAOYSA-N
XLogP-0.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 55227455) is (1,1-dioxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(N1CCS(=O)(=O)CC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is DCCVNAKHIUZRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3S/c11-10(12,13)9(1-2-14-7-9)8(16)15-3-5-19(17,18)6-4-15/h14H,1-7H2.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 300.30 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 55227455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).