(2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile

C13H17N3O4S — CID 96510950

IUPAC(2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile
SMILESN#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2c2ccco2)CCO1
InChIInChI=1S/C13H17N3O4S/c14-9-11-10-15(6-8-19-11)21(17,18)16-5-1-3-12(16)13-4-2-7-20-13/h2,4,7,11-12H,1,3,5-6,8,10H2/t11-,12+/m1/s1
InChIKeyJXFXSWPCGTYKSL-NEPJUHHUSA-N
MW311.36 g/mol
LogP0.89
Rot. Bonds3

About (2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile

(2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile (PubChem CID 96510950) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is (2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile
PubChem CID96510950
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name(2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile
SMILESN#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2c2ccco2)CCO1
InChIInChI=1S/C13H17N3O4S/c14-9-11-10-15(6-8-19-11)21(17,18)16-5-1-3-12(16)13-4-2-7-20-13/h2,4,7,11-12H,1,3,5-6,8,10H2/t11-,12+/m1/s1
InChIKeyJXFXSWPCGTYKSL-NEPJUHHUSA-N
XLogP0.89
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(furan-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylpyrrolidine
CID 124865657
(3aR,7aS)-2-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 96511049
(3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine
CID 96510934
(3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 96510678
(3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine
CID 124865994
(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
1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine
CID 71929371
4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile
CID 78946362
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,4-diazepan-5-one
CID 97012816
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

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile?
The IUPAC name of (2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile (CID 96510950) is (2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile.
What is the SMILES notation for (2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile?
The canonical SMILES for (2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile is N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2c2ccco2)CCO1.
What is the InChIKey of (2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile?
The InChIKey is JXFXSWPCGTYKSL-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H17N3O4S/c14-9-11-10-15(6-8-19-11)21(17,18)16-5-1-3-12(16)13-4-2-7-20-13/h2,4,7,11-12H,1,3,5-6,8,10H2/t11-,12+/m1/s1.
What are the key properties of (2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile?
(2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile has a molecular weight of 311.36 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile is sourced from PubChem (CID 96510950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).