(3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide

C15H23N3O4S — CID 124859756

IUPAC(3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)N1CCC[C@H]1c1ccco1
InChIInChI=1S/C15H23N3O4S/c1-11-6-7-12(15(16)19)10-18(11)23(20,21)17-8-2-4-13(17)14-5-3-9-22-14/h3,5,9,11-13H,2,4,6-8,10H2,1H3,(H2,16,19)/t11-,12+,13+/m1/s1
InChIKeyKNDNXGDQNJNEHX-AGIUHOORSA-N
MW341.43 g/mol
LogP1.25
Rot. Bonds4

About (3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide

(3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide (PubChem CID 124859756) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is (3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide
PubChem CID124859756
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)N1CCC[C@H]1c1ccco1
InChIInChI=1S/C15H23N3O4S/c1-11-6-7-12(15(16)19)10-18(11)23(20,21)17-8-2-4-13(17)14-5-3-9-22-14/h3,5,9,11-13H,2,4,6-8,10H2,1H3,(H2,16,19)/t11-,12+,13+/m1/s1
InChIKeyKNDNXGDQNJNEHX-AGIUHOORSA-N
XLogP1.25
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 96510678
(3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine
CID 96510934
(3aR,7aS)-2-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 96511049
2-[(2R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]pyridine
CID 97018175
2-[(2S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 96510711
2-[(2S)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]pyridine
CID 124733704
(5aS,8aR)-5-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepine
CID 124729510
(3S,6R)-1-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide
CID 124731254
(2S)-2-(furan-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylpyrrolidine
CID 124865657
(3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine
CID 124865994
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide (CID 124859756) is (3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide is C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)N1CCC[C@H]1c1ccco1.
What is the InChIKey of (3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide?
The InChIKey is KNDNXGDQNJNEHX-AGIUHOORSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-11-6-7-12(15(16)19)10-18(11)23(20,21)17-8-2-4-13(17)14-5-3-9-22-14/h3,5,9,11-13H,2,4,6-8,10H2,1H3,(H2,16,19)/t11-,12+,13+/m1/s1.
What are the key properties of (3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide?
(3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 124859756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).