(2R)-4-[1-[(2R)-1-ethyl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-methyl-1,4-thiazinane 1,1-dioxide

C16H29F3N2O2S — CID 146627252

IUPAC(2R)-4-[1-[(2R)-1-ethyl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-methyl-1,4-thiazinane 1,1-dioxide
SMILESCCN1CCCC(CC(C)N2CCS(=O)(=O)[C@H](C)C2)[C@@H]1C(F)(F)F
InChIInChI=1S/C16H29F3N2O2S/c1-4-20-7-5-6-14(15(20)16(17,18)19)10-12(2)21-8-9-24(22,23)13(3)11-21/h12-15H,4-11H2,1-3H3/t12?,13-,14?,15-/m1/s1
InChIKeyLCVSTKIYAWPOJG-HXSCFSKGSA-N
MW370.48 g/mol
LogP2.55
Rot. Bonds4

About (2R)-4-[1-[(2R)-1-ethyl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-methyl-1,4-thiazinane 1,1-dioxide

(2R)-4-[1-[(2R)-1-ethyl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 146627252) has the molecular formula C16H29F3N2O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is (2R)-4-[1-[(2R)-1-ethyl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name(2R)-4-[1-[(2R)-1-ethyl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID146627252
Molecular FormulaC16H29F3N2O2S
Molecular Weight370.48 g/mol
Exact Mass370.19
IUPAC Name(2R)-4-[1-[(2R)-1-ethyl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-methyl-1,4-thiazinane 1,1-dioxide
SMILESCCN1CCCC(CC(C)N2CCS(=O)(=O)[C@H](C)C2)[C@@H]1C(F)(F)F
InChIInChI=1S/C16H29F3N2O2S/c1-4-20-7-5-6-14(15(20)16(17,18)19)10-12(2)21-8-9-24(22,23)13(3)11-21/h12-15H,4-11H2,1-3H3/t12?,13-,14?,15-/m1/s1
InChIKeyLCVSTKIYAWPOJG-HXSCFSKGSA-N
XLogP2.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-4-[1-[(2R)-1-ethyl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-methyl-1,4-thiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[1-[(2R)-1-ethyl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of (2R)-4-[1-[(2R)-1-ethyl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-methyl-1,4-thiazinane 1,1-dioxide (CID 146627252) is (2R)-4-[1-[(2R)-1-ethyl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for (2R)-4-[1-[(2R)-1-ethyl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for (2R)-4-[1-[(2R)-1-ethyl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-methyl-1,4-thiazinane 1,1-dioxide is CCN1CCCC(CC(C)N2CCS(=O)(=O)[C@H](C)C2)[C@@H]1C(F)(F)F.
What is the InChIKey of (2R)-4-[1-[(2R)-1-ethyl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is LCVSTKIYAWPOJG-HXSCFSKGSA-N. The full InChI is InChI=1S/C16H29F3N2O2S/c1-4-20-7-5-6-14(15(20)16(17,18)19)10-12(2)21-8-9-24(22,23)13(3)11-21/h12-15H,4-11H2,1-3H3/t12?,13-,14?,15-/m1/s1.
What are the key properties of (2R)-4-[1-[(2R)-1-ethyl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-methyl-1,4-thiazinane 1,1-dioxide?
(2R)-4-[1-[(2R)-1-ethyl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 370.48 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[1-[(2R)-1-ethyl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 146627252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).