(3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine

C15H24N2O4S — CID 124865994

IUPAC(3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine
SMILESCCO[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2c2ccco2)C1
InChIInChI=1S/C15H24N2O4S/c1-2-20-13-6-3-9-16(12-13)22(18,19)17-10-4-7-14(17)15-8-5-11-21-15/h5,8,11,13-14H,2-4,6-7,9-10,12H2,1H3/t13-,14-/m0/s1
InChIKeyKBRORNLKFQVSHJ-KBPBESRZSA-N
MW328.43 g/mol
LogP2.16
Rot. Bonds5

About (3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine

(3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine (PubChem CID 124865994) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is (3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine.

Molecular Properties

Compound Name(3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine
PubChem CID124865994
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name(3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine
SMILESCCO[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2c2ccco2)C1
InChIInChI=1S/C15H24N2O4S/c1-2-20-13-6-3-9-16(12-13)22(18,19)17-10-4-7-14(17)15-8-5-11-21-15/h5,8,11,13-14H,2-4,6-7,9-10,12H2,1H3/t13-,14-/m0/s1
InChIKeyKBRORNLKFQVSHJ-KBPBESRZSA-N
XLogP2.16
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 96510678
1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine
CID 71929371
(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
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
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
(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)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine?
The IUPAC name of (3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine (CID 124865994) is (3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine.
What is the SMILES notation for (3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine?
The canonical SMILES for (3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine is CCO[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2c2ccco2)C1.
What is the InChIKey of (3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine?
The InChIKey is KBRORNLKFQVSHJ-KBPBESRZSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-2-20-13-6-3-9-16(12-13)22(18,19)17-10-4-7-14(17)15-8-5-11-21-15/h5,8,11,13-14H,2-4,6-7,9-10,12H2,1H3/t13-,14-/m0/s1.
What are the key properties of (3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine?
(3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine has a molecular weight of 328.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine is sourced from PubChem (CID 124865994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).