(1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C14H16F6N2OS — CID 163395688

IUPAC(1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESN[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1ccc(F)c(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C14H16F6N2OS/c15-10-4-3-9(6-11(10)24(16,17,18,19)20)22-14(23)12-7-1-2-8(5-7)13(12)21/h3-4,6-8,12-13H,1-2,5,21H2,(H,22,23)/t7-,8+,12-,13+/m1/s1
InChIKeyBFUUMBFSHFMJNA-BCWBERDBSA-N
MW374.35 g/mol
LogP4.80
Rot. Bonds3

About (1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 163395688) has the molecular formula C14H16F6N2OS and a molecular weight of 374.35 g/mol. Its IUPAC name is (1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID163395688
Molecular FormulaC14H16F6N2OS
Molecular Weight374.35 g/mol
Exact Mass374.09
IUPAC Name(1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESN[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1ccc(F)c(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C14H16F6N2OS/c15-10-4-3-9(6-11(10)24(16,17,18,19)20)22-14(23)12-7-1-2-8(5-7)13(12)21/h3-4,6-8,12-13H,1-2,5,21H2,(H,22,23)/t7-,8+,12-,13+/m1/s1
InChIKeyBFUUMBFSHFMJNA-BCWBERDBSA-N
XLogP4.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,3R,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163396159
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
CID 119702825
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702824
3-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119774480
cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 163395275
3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119680372
3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
(3R,4R)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]oxane-4-carboxamide
CID 163395381
3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119672844
N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700273
3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119684897
3-amino-N-[4-(phenylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119756435

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 163395688) is (1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is N[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1ccc(F)c(S(F)(F)(F)(F)F)c1.
What is the InChIKey of (1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is BFUUMBFSHFMJNA-BCWBERDBSA-N. The full InChI is InChI=1S/C14H16F6N2OS/c15-10-4-3-9(6-11(10)24(16,17,18,19)20)22-14(23)12-7-1-2-8(5-7)13(12)21/h3-4,6-8,12-13H,1-2,5,21H2,(H,22,23)/t7-,8+,12-,13+/m1/s1.
What are the key properties of (1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 374.35 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 163395688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).