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

C15H18F5NOS — CID 165147917

IUPAC(1R,4S)-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1cccc(S(F)(F)(F)(F)F)c1)C1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C15H18F5NOS/c16-23(17,18,19,20)13-3-1-2-11(7-13)9-21-15(22)14-8-10-4-5-12(14)6-10/h1-3,7,10,12,14H,4-6,8-9H2,(H,21,22)/t10-,12+,14?/m0/s1
InChIKeyKTTBVFVRXDRSSP-QXQDIAAESA-N
MW355.37 g/mol
LogP5.40
Rot. Bonds4

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

(1R,4S)-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 165147917) has the molecular formula C15H18F5NOS and a molecular weight of 355.37 g/mol. Its IUPAC name is (1R,4S)-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,4S)-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID165147917
Molecular FormulaC15H18F5NOS
Molecular Weight355.37 g/mol
Exact Mass355.10
IUPAC Name(1R,4S)-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1cccc(S(F)(F)(F)(F)F)c1)C1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C15H18F5NOS/c16-23(17,18,19,20)13-3-1-2-11(7-13)9-21-15(22)14-8-10-4-5-12(14)6-10/h1-3,7,10,12,14H,4-6,8-9H2,(H,21,22)/t10-,12+,14?/m0/s1
InChIKeyKTTBVFVRXDRSSP-QXQDIAAESA-N
XLogP5.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.37
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,4S)-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

N-[[3-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51262006
(1S,2R,4S)-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 129376830
4-[(bicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid
CID 43209946
N-[(4-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47124918
N-[3-(methylaminomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 43601787
(1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7471796
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 76932736
N-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 47086396
(1R,2R,4S)-N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 94506132
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
(1S,2S,4S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98681836

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,4S)-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 165147917) is (1R,4S)-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,4S)-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,4S)-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCc1cccc(S(F)(F)(F)(F)F)c1)C1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,4S)-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is KTTBVFVRXDRSSP-QXQDIAAESA-N. The full InChI is InChI=1S/C15H18F5NOS/c16-23(17,18,19,20)13-3-1-2-11(7-13)9-21-15(22)14-8-10-4-5-12(14)6-10/h1-3,7,10,12,14H,4-6,8-9H2,(H,21,22)/t10-,12+,14?/m0/s1.
What are the key properties of (1R,4S)-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
(1R,4S)-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 165147917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).