2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole

C16H20N2O4S2 — CID 121150768

IUPAC2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole
SMILESO=S(=O)(CCCOc1ccccc1)N1CCC(Oc2nccs2)C1
InChIInChI=1S/C16H20N2O4S2/c19-24(20,12-4-10-21-14-5-2-1-3-6-14)18-9-7-15(13-18)22-16-17-8-11-23-16/h1-3,5-6,8,11,15H,4,7,9-10,12-13H2
InChIKeyOWOCIOWWLTXOGT-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.40
Rot. Bonds8

About 2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole

2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole (PubChem CID 121150768) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole
PubChem CID121150768
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole
SMILESO=S(=O)(CCCOc1ccccc1)N1CCC(Oc2nccs2)C1
InChIInChI=1S/C16H20N2O4S2/c19-24(20,12-4-10-21-14-5-2-1-3-6-14)18-9-7-15(13-18)22-16-17-8-11-23-16/h1-3,5-6,8,11,15H,4,7,9-10,12-13H2
InChIKeyOWOCIOWWLTXOGT-UHFFFAOYSA-N
XLogP2.40
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150775
2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150752
2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617948
2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150766
3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine
CID 91627446
3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150388
2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150751
2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 90618011
phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150299
2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine
CID 122261143
3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine
CID 129325414
2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617991

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole (CID 121150768) is 2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole is O=S(=O)(CCCOc1ccccc1)N1CCC(Oc2nccs2)C1.
What is the InChIKey of 2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole?
The InChIKey is OWOCIOWWLTXOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c19-24(20,12-4-10-21-14-5-2-1-3-6-14)18-9-7-15(13-18)22-16-17-8-11-23-16/h1-3,5-6,8,11,15H,4,7,9-10,12-13H2.
What are the key properties of 2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole?
2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole has a molecular weight of 368.48 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole is sourced from PubChem (CID 121150768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).