[(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(furan-2-yl)phenyl]sulfonylpiperidin-2-yl]methanone

C20H24FN3O4S — CID 44570961

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(furan-2-yl)phenyl]sulfonylpiperidin-2-yl]methanone
SMILESN[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3ccco3)c(F)c2)C1
InChIInChI=1S/C20H24FN3O4S/c21-17-12-15(6-7-16(17)19-5-3-11-28-19)29(26,27)24-9-2-1-4-18(24)20(25)23-10-8-14(22)13-23/h3,5-7,11-12,14,18H,1-2,4,8-10,13,22H2/t14-,18+/m1/s1
InChIKeyXFLZHHXXFQAFLS-KDOFPFPSSA-N
MW421.49 g/mol
LogP2.19
Rot. Bonds4

About [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(furan-2-yl)phenyl]sulfonylpiperidin-2-yl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(furan-2-yl)phenyl]sulfonylpiperidin-2-yl]methanone (PubChem CID 44570961) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(furan-2-yl)phenyl]sulfonylpiperidin-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(furan-2-yl)phenyl]sulfonylpiperidin-2-yl]methanone
PubChem CID44570961
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(furan-2-yl)phenyl]sulfonylpiperidin-2-yl]methanone
SMILESN[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3ccco3)c(F)c2)C1
InChIInChI=1S/C20H24FN3O4S/c21-17-12-15(6-7-16(17)19-5-3-11-28-19)29(26,27)24-9-2-1-4-18(24)20(25)23-10-8-14(22)13-23/h3,5-7,11-12,14,18H,1-2,4,8-10,13,22H2/t14-,18+/m1/s1
InChIKeyXFLZHHXXFQAFLS-KDOFPFPSSA-N
XLogP2.19
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(furan-2-yl)phenyl]sulfonylpiperidin-2-yl]methanone 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

[(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylpiperidin-2-yl]methanone
CID 44570962
(4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride
CID 119373052
1-(3,4-difluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43235907
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone;hydrochloride
CID 119487072
[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058
[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 51307377
[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 30261349
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(furan-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119484214
azepan-1-yl-[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanone
CID 24604648
[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55567553
[(3R)-3-aminopyrrolidin-1-yl]-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 124699536

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(furan-2-yl)phenyl]sulfonylpiperidin-2-yl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(furan-2-yl)phenyl]sulfonylpiperidin-2-yl]methanone (CID 44570961) is [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(furan-2-yl)phenyl]sulfonylpiperidin-2-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(furan-2-yl)phenyl]sulfonylpiperidin-2-yl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(furan-2-yl)phenyl]sulfonylpiperidin-2-yl]methanone is N[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3ccco3)c(F)c2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(furan-2-yl)phenyl]sulfonylpiperidin-2-yl]methanone?
The InChIKey is XFLZHHXXFQAFLS-KDOFPFPSSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c21-17-12-15(6-7-16(17)19-5-3-11-28-19)29(26,27)24-9-2-1-4-18(24)20(25)23-10-8-14(22)13-23/h3,5-7,11-12,14,18H,1-2,4,8-10,13,22H2/t14-,18+/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(furan-2-yl)phenyl]sulfonylpiperidin-2-yl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(furan-2-yl)phenyl]sulfonylpiperidin-2-yl]methanone has a molecular weight of 421.49 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(furan-2-yl)phenyl]sulfonylpiperidin-2-yl]methanone is sourced from PubChem (CID 44570961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).