(3R)-N-hydroxy-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide

C19H19F3N2O2S — CID 91269185

IUPAC(3R)-N-hydroxy-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide
SMILESO=C(NO)[C@H]1CCCSN1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F3N2O2S/c20-19(21,22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-24-17(18(25)23-26)2-1-11-27-24/h3-10,17,26H,1-2,11-12H2,(H,23,25)/t17-/m1/s1
InChIKeyGJNRVNHQGGSNGB-QGZVFWFLSA-N
MW396.43 g/mol
LogP4.49
Rot. Bonds4

About (3R)-N-hydroxy-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide

(3R)-N-hydroxy-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide (PubChem CID 91269185) has the molecular formula C19H19F3N2O2S and a molecular weight of 396.43 g/mol. Its IUPAC name is (3R)-N-hydroxy-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-hydroxy-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide
PubChem CID91269185
Molecular FormulaC19H19F3N2O2S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC Name(3R)-N-hydroxy-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide
SMILESO=C(NO)[C@H]1CCCSN1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F3N2O2S/c20-19(21,22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-24-17(18(25)23-26)2-1-11-27-24/h3-10,17,26H,1-2,11-12H2,(H,23,25)/t17-/m1/s1
InChIKeyGJNRVNHQGGSNGB-QGZVFWFLSA-N
XLogP4.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-hydroxy-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide?
The IUPAC name of (3R)-N-hydroxy-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide (CID 91269185) is (3R)-N-hydroxy-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide.
What is the SMILES notation for (3R)-N-hydroxy-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide?
The canonical SMILES for (3R)-N-hydroxy-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide is O=C(NO)[C@H]1CCCSN1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (3R)-N-hydroxy-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide?
The InChIKey is GJNRVNHQGGSNGB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19F3N2O2S/c20-19(21,22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-24-17(18(25)23-26)2-1-11-27-24/h3-10,17,26H,1-2,11-12H2,(H,23,25)/t17-/m1/s1.
What are the key properties of (3R)-N-hydroxy-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide?
(3R)-N-hydroxy-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-hydroxy-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide is sourced from PubChem (CID 91269185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).