1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine

C11H17NO4S2 — CID 97056140

IUPAC1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine
SMILESCC[S@](=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C11H17NO4S2/c1-2-17(13)9-10-5-6-11(16-10)18(14,15)12-7-3-4-8-12/h5-6H,2-4,7-9H2,1H3/t17-/m0/s1
InChIKeyPIJHBHHHZNTNJJ-KRWDZBQOSA-N
MW291.39 g/mol
LogP1.33
Rot. Bonds5

About 1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine

1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine (PubChem CID 97056140) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine.

Molecular Properties

Compound Name1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine
PubChem CID97056140
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Name1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine
SMILESCC[S@](=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C11H17NO4S2/c1-2-17(13)9-10-5-6-11(16-10)18(14,15)12-7-3-4-8-12/h5-6H,2-4,7-9H2,1H3/t17-/m0/s1
InChIKeyPIJHBHHHZNTNJJ-KRWDZBQOSA-N
XLogP1.33
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine
CID 86993095
(3S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-3-ol
CID 111123221
N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 55739537
N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine
CID 55827224
3,5-difluoro-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]aniline
CID 71998042
N-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine
CID 55838430
5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 47038783
2-(3,5-dimethylphenyl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidine
CID 86952087
(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910850
(2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide
CID 94178041
3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrazin-2-amine
CID 100725997
[(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 96528122

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine?
The IUPAC name of 1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine (CID 97056140) is 1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine.
What is the SMILES notation for 1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine?
The canonical SMILES for 1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine is CC[S@](=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1.
What is the InChIKey of 1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine?
The InChIKey is PIJHBHHHZNTNJJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-2-17(13)9-10-5-6-11(16-10)18(14,15)12-7-3-4-8-12/h5-6H,2-4,7-9H2,1H3/t17-/m0/s1.
What are the key properties of 1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine?
1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine has a molecular weight of 291.39 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine is sourced from PubChem (CID 97056140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).