2-(9H-fluoren-9-ylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine

C22H20N2O2S2 — CID 7594099

IUPAC2-(9H-fluoren-9-ylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1ccc(SC2c3ccccc3-c3ccccc32)nc1)N1CCCC1
InChIInChI=1S/C22H20N2O2S2/c25-28(26,24-13-5-6-14-24)16-11-12-21(23-15-16)27-22-19-9-3-1-7-17(19)18-8-2-4-10-20(18)22/h1-4,7-12,15,22H,5-6,13-14H2
InChIKeyYBVVZDZDQIVVMT-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.73
Rot. Bonds4

About 2-(9H-fluoren-9-ylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine

2-(9H-fluoren-9-ylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine (PubChem CID 7594099) has the molecular formula C22H20N2O2S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine
PubChem CID7594099
Molecular FormulaC22H20N2O2S2
Molecular Weight408.55 g/mol
Exact Mass408.10
IUPAC Name2-(9H-fluoren-9-ylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1ccc(SC2c3ccccc3-c3ccccc32)nc1)N1CCCC1
InChIInChI=1S/C22H20N2O2S2/c25-28(26,24-13-5-6-14-24)16-11-12-21(23-15-16)27-22-19-9-3-1-7-17(19)18-8-2-4-10-20(18)22/h1-4,7-12,15,22H,5-6,13-14H2
InChIKeyYBVVZDZDQIVVMT-UHFFFAOYSA-N
XLogP4.73
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-benzylsulfanyl-3-pyridinyl)sulfonyl]azepane
CID 7593932
2-(2-chlorophenyl)-5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 33464198
2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone
CID 7778912
2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole
CID 32681682
2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine
CID 2538848
(2S)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 41088397
N-cyclopentyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779585
(2S)-N,N-dimethyl-2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7602936
(2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 41327672
2-(oxan-2-ylmethylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine
CID 42928894
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 7594028
1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 7561679

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine?
The IUPAC name of 2-(9H-fluoren-9-ylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine (CID 7594099) is 2-(9H-fluoren-9-ylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine.
What is the SMILES notation for 2-(9H-fluoren-9-ylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine?
The canonical SMILES for 2-(9H-fluoren-9-ylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine is O=S(=O)(c1ccc(SC2c3ccccc3-c3ccccc32)nc1)N1CCCC1.
What is the InChIKey of 2-(9H-fluoren-9-ylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine?
The InChIKey is YBVVZDZDQIVVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S2/c25-28(26,24-13-5-6-14-24)16-11-12-21(23-15-16)27-22-19-9-3-1-7-17(19)18-8-2-4-10-20(18)22/h1-4,7-12,15,22H,5-6,13-14H2.
What are the key properties of 2-(9H-fluoren-9-ylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine?
2-(9H-fluoren-9-ylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine has a molecular weight of 408.55 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine is sourced from PubChem (CID 7594099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).