2-[(2-fluorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride

C14H20ClFN2O2S — CID 86815171

IUPAC2-[(2-fluorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride
SMILESCl.NC1CCC2CN(S(=O)(=O)Cc3ccccc3F)CC12
InChIInChI=1S/C14H19FN2O2S.ClH/c15-13-4-2-1-3-11(13)9-20(18,19)17-7-10-5-6-14(16)12(10)8-17;/h1-4,10,12,14H,5-9,16H2;1H
InChIKeyRPNKFBYHNFWABG-UHFFFAOYSA-N
MW334.84 g/mol
LogP1.75
Rot. Bonds3

About 2-[(2-fluorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride

2-[(2-fluorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride (PubChem CID 86815171) has the molecular formula C14H20ClFN2O2S and a molecular weight of 334.84 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride
PubChem CID86815171
Molecular FormulaC14H20ClFN2O2S
Molecular Weight334.84 g/mol
Exact Mass334.09
IUPAC Name2-[(2-fluorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride
SMILESCl.NC1CCC2CN(S(=O)(=O)Cc3ccccc3F)CC12
InChIInChI=1S/C14H19FN2O2S.ClH/c15-13-4-2-1-3-11(13)9-20(18,19)17-7-10-5-6-14(16)12(10)8-17;/h1-4,10,12,14H,5-9,16H2;1H
InChIKeyRPNKFBYHNFWABG-UHFFFAOYSA-N
XLogP1.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)sulfonyl]propyl]isoindole-1,3-dione
CID 120712836
1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
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1-[(2-fluorophenyl)methylsulfonyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53283463
3-(4-chlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]azepane
CID 121146847
[1-[(2-fluorophenyl)methylsulfonyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777581
(3aR,6aS)-2-[(2-fluorophenyl)methylsulfonyl]-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 91916108
2-[(2-chlorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
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3-ethylsulfonyl-6-[(2-fluorophenyl)methyl]-3,6-diazabicyclo[3.2.0]heptane
CID 134073274
3-[(3S,4R)-1-[(2-fluorophenyl)methylsulfonyl]-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129417722
[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 46778208
3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157239
(6aS)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 67414284

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride (CID 86815171) is 2-[(2-fluorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride is Cl.NC1CCC2CN(S(=O)(=O)Cc3ccccc3F)CC12.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride?
The InChIKey is RPNKFBYHNFWABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S.ClH/c15-13-4-2-1-3-11(13)9-20(18,19)17-7-10-5-6-14(16)12(10)8-17;/h1-4,10,12,14H,5-9,16H2;1H.
What are the key properties of 2-[(2-fluorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride?
2-[(2-fluorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride has a molecular weight of 334.84 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride is sourced from PubChem (CID 86815171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).