[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine

C15H21FN2O2S — CID 65319473

IUPAC[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine
SMILESNCc1c(F)cccc1S(=O)(=O)N1CCCC2CCCC21
InChIInChI=1S/C15H21FN2O2S/c16-13-6-2-8-15(12(13)10-17)21(19,20)18-9-3-5-11-4-1-7-14(11)18/h2,6,8,11,14H,1,3-5,7,9-10,17H2
InChIKeyVUNVMOIWZDZIBJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.24
Rot. Bonds3

About [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine

[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine (PubChem CID 65319473) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine
PubChem CID65319473
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine
SMILESNCc1c(F)cccc1S(=O)(=O)N1CCCC2CCCC21
InChIInChI=1S/C15H21FN2O2S/c16-13-6-2-8-15(12(13)10-17)21(19,20)18-9-3-5-11-4-1-7-14(11)18/h2,6,8,11,14H,1,3-5,7,9-10,17H2
InChIKeyVUNVMOIWZDZIBJ-UHFFFAOYSA-N
XLogP2.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine with MolForge

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Related Compounds

2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 61045786
[2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 83052838
1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 78989322
[2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 103495203
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine
CID 65319523
[2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine
CID 102883116
1-(2-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 47104020
1-[(2-chloro-3-pyridinyl)sulfonyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65318853
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)phenyl]hydrazine
CID 43628435
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonylmethyl)phenyl]methanamine
CID 65319374
1-(4-bromo-2-fluorophenyl)sulfonyl-2-cyclopentylpyrrolidine
CID 116528534
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine
CID 102725260

Frequently Asked Questions

What is the IUPAC name of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine?
The IUPAC name of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine (CID 65319473) is [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine?
The canonical SMILES for [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine is NCc1c(F)cccc1S(=O)(=O)N1CCCC2CCCC21.
What is the InChIKey of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine?
The InChIKey is VUNVMOIWZDZIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c16-13-6-2-8-15(12(13)10-17)21(19,20)18-9-3-5-11-4-1-7-14(11)18/h2,6,8,11,14H,1,3-5,7,9-10,17H2.
What are the key properties of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine?
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine has a molecular weight of 312.41 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine is sourced from PubChem (CID 65319473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).