4-[2-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]sulfonyl-1,4-thiazinane 1,1-dioxide

C10H17F3N2O4S2 — CID 166229391

IUPAC4-[2-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]sulfonyl-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(S(=O)(=O)N2CCCC2CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O4S2/c11-10(12,13)8-9-2-1-3-15(9)21(18,19)14-4-6-20(16,17)7-5-14/h9H,1-8H2
InChIKeyGUOMMMLLLDIZBI-UHFFFAOYSA-N
MW350.38 g/mol
LogP0.38
Rot. Bonds3

About 4-[2-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]sulfonyl-1,4-thiazinane 1,1-dioxide

4-[2-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]sulfonyl-1,4-thiazinane 1,1-dioxide (PubChem CID 166229391) has the molecular formula C10H17F3N2O4S2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]sulfonyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]sulfonyl-1,4-thiazinane 1,1-dioxide
PubChem CID166229391
Molecular FormulaC10H17F3N2O4S2
Molecular Weight350.38 g/mol
Exact Mass350.06
IUPAC Name4-[2-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]sulfonyl-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(S(=O)(=O)N2CCCC2CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O4S2/c11-10(12,13)8-9-2-1-3-15(9)21(18,19)14-4-6-20(16,17)7-5-14/h9H,1-8H2
InChIKeyGUOMMMLLLDIZBI-UHFFFAOYSA-N
XLogP0.38
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]sulfonyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]sulfonyl-1,4-thiazinane 1,1-dioxide (CID 166229391) is 4-[2-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]sulfonyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]sulfonyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]sulfonyl-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(S(=O)(=O)N2CCCC2CC(F)(F)F)CC1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]sulfonyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is GUOMMMLLLDIZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O4S2/c11-10(12,13)8-9-2-1-3-15(9)21(18,19)14-4-6-20(16,17)7-5-14/h9H,1-8H2.
What are the key properties of 4-[2-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]sulfonyl-1,4-thiazinane 1,1-dioxide?
4-[2-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]sulfonyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 350.38 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]sulfonyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 166229391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).