(3R,4R)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]oxane-4-carboxamide

C12H14F6N2O2S — CID 163395381

IUPAC(3R,4R)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]oxane-4-carboxamide
SMILESN[C@H]1COCC[C@H]1C(=O)Nc1ccc(F)c(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C12H14F6N2O2S/c13-9-2-1-7(5-11(9)23(14,15,16,17)18)20-12(21)8-3-4-22-6-10(8)19/h1-2,5,8,10H,3-4,6,19H2,(H,20,21)/t8-,10+/m1/s1
InChIKeyCSUPOFFDQIBRMQ-SCZZXKLOSA-N
MW364.31 g/mol
LogP3.79
Rot. Bonds3

About (3R,4R)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]oxane-4-carboxamide

(3R,4R)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]oxane-4-carboxamide (PubChem CID 163395381) has the molecular formula C12H14F6N2O2S and a molecular weight of 364.31 g/mol. Its IUPAC name is (3R,4R)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name(3R,4R)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]oxane-4-carboxamide
PubChem CID163395381
Molecular FormulaC12H14F6N2O2S
Molecular Weight364.31 g/mol
Exact Mass364.07
IUPAC Name(3R,4R)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]oxane-4-carboxamide
SMILESN[C@H]1COCC[C@H]1C(=O)Nc1ccc(F)c(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C12H14F6N2O2S/c13-9-2-1-7(5-11(9)23(14,15,16,17)18)20-12(21)8-3-4-22-6-10(8)19/h1-2,5,8,10H,3-4,6,19H2,(H,20,21)/t8-,10+/m1/s1
InChIKeyCSUPOFFDQIBRMQ-SCZZXKLOSA-N
XLogP3.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]oxane-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 163395275
(1R,2S,3R,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163396159
(1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163395688
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 66235449
3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide
CID 170310866
5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide
CID 64824712
N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide
CID 64822591
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid
CID 61270294
4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
CID 66238841
2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64822720
N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide
CID 115661522

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]oxane-4-carboxamide?
The IUPAC name of (3R,4R)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]oxane-4-carboxamide (CID 163395381) is (3R,4R)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for (3R,4R)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for (3R,4R)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]oxane-4-carboxamide is N[C@H]1COCC[C@H]1C(=O)Nc1ccc(F)c(S(F)(F)(F)(F)F)c1.
What is the InChIKey of (3R,4R)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]oxane-4-carboxamide?
The InChIKey is CSUPOFFDQIBRMQ-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H14F6N2O2S/c13-9-2-1-7(5-11(9)23(14,15,16,17)18)20-12(21)8-3-4-22-6-10(8)19/h1-2,5,8,10H,3-4,6,19H2,(H,20,21)/t8-,10+/m1/s1.
What are the key properties of (3R,4R)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]oxane-4-carboxamide?
(3R,4R)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]oxane-4-carboxamide has a molecular weight of 364.31 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 163395381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).