(3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine

C14H22N2O4S — CID 96510934

IUPAC(3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine
SMILESCO[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)C1
InChIInChI=1S/C14H22N2O4S/c1-19-12-5-2-8-15(11-12)21(17,18)16-9-3-6-13(16)14-7-4-10-20-14/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3/t12-,13-/m1/s1
InChIKeyAAGRIODSHVGXTR-CHWSQXEVSA-N
MW314.41 g/mol
LogP1.77
Rot. Bonds4

About (3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine

(3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine (PubChem CID 96510934) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is (3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine.

Molecular Properties

Compound Name(3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine
PubChem CID96510934
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name(3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine
SMILESCO[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)C1
InChIInChI=1S/C14H22N2O4S/c1-19-12-5-2-8-15(11-12)21(17,18)16-9-3-6-13(16)14-7-4-10-20-14/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3/t12-,13-/m1/s1
InChIKeyAAGRIODSHVGXTR-CHWSQXEVSA-N
XLogP1.77
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine 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

(3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine
CID 124865994
(3aR,7aS)-2-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 96511049
(3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 96510678
(2S)-2-(furan-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylpyrrolidine
CID 124865657
(2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile
CID 96510950
1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine
CID 71929371
2-[(2S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 96510711
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,4-diazepan-5-one
CID 97012816
(3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide
CID 124859756
2-[(2R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]pyridine
CID 97018175
2-[(2S)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]pyridine
CID 124733704
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine?
The IUPAC name of (3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine (CID 96510934) is (3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine.
What is the SMILES notation for (3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine?
The canonical SMILES for (3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine is CO[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)C1.
What is the InChIKey of (3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine?
The InChIKey is AAGRIODSHVGXTR-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-19-12-5-2-8-15(11-12)21(17,18)16-9-3-6-13(16)14-7-4-10-20-14/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3/t12-,13-/m1/s1.
What are the key properties of (3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine?
(3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine has a molecular weight of 314.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine is sourced from PubChem (CID 96510934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).