(3R,4R)-2-butyl-3-phenyl-4-phenylsulfanylthiazetidine 1,1-dioxide

C18H21NO2S2 — CID 10521627

IUPAC(3R,4R)-2-butyl-3-phenyl-4-phenylsulfanylthiazetidine 1,1-dioxide
SMILESCCCCN1[C@H](c2ccccc2)[C@H](Sc2ccccc2)S1(=O)=O
InChIInChI=1S/C18H21NO2S2/c1-2-3-14-19-17(15-10-6-4-7-11-15)18(23(19,20)21)22-16-12-8-5-9-13-16/h4-13,17-18H,2-3,14H2,1H3/t17-,18-/m1/s1
InChIKeyCZBWVEKIKNMCRB-QZTJIDSGSA-N
MW347.50 g/mol
LogP4.29
Rot. Bonds6

About (3R,4R)-2-butyl-3-phenyl-4-phenylsulfanylthiazetidine 1,1-dioxide

(3R,4R)-2-butyl-3-phenyl-4-phenylsulfanylthiazetidine 1,1-dioxide (PubChem CID 10521627) has the molecular formula C18H21NO2S2 and a molecular weight of 347.50 g/mol. Its IUPAC name is (3R,4R)-2-butyl-3-phenyl-4-phenylsulfanylthiazetidine 1,1-dioxide.

Molecular Properties

Compound Name(3R,4R)-2-butyl-3-phenyl-4-phenylsulfanylthiazetidine 1,1-dioxide
PubChem CID10521627
Molecular FormulaC18H21NO2S2
Molecular Weight347.50 g/mol
Exact Mass347.10
IUPAC Name(3R,4R)-2-butyl-3-phenyl-4-phenylsulfanylthiazetidine 1,1-dioxide
SMILESCCCCN1[C@H](c2ccccc2)[C@H](Sc2ccccc2)S1(=O)=O
InChIInChI=1S/C18H21NO2S2/c1-2-3-14-19-17(15-10-6-4-7-11-15)18(23(19,20)21)22-16-12-8-5-9-13-16/h4-13,17-18H,2-3,14H2,1H3/t17-,18-/m1/s1
InChIKeyCZBWVEKIKNMCRB-QZTJIDSGSA-N
XLogP4.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-1-butyl-2,3-diphenylaziridine
CID 102330733
(5S,6S)-1-butyl-6-phenyl-5-phenylsulfanylpiperidin-2-one
CID 95091827
(3R,4S)-2-cyclohexyl-3-(4-methylphenyl)-4-phenylsulfanylthiazetidine 1,1-dioxide
CID 10738977
(5S,6R)-1-butyl-5-(4-methylphenyl)sulfanyl-6-phenylpiperidin-2-one
CID 95091830
3-butyl-5-phenylimidazolidin-4-one
CID 83238128
1-butyl-4-phenylpiperidine-2,6-dione
CID 58822038
(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)azanide
CID 162358368
(3R,4R)-1-dodecyl-3,4-bis(phenylsulfanyl)pyrrolidine
CID 11282480
(3R,4S,5S)-1,5-dimethyl-4-phenyl-3-phenylsulfanylpyrrolidin-2-one
CID 11522228
1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione
CID 64885551
1,3-dibutyl-4,5-dimethyl-2-phenyl-2H-imidazole;hydroiodide
CID 174891978
1-butyl-2,3-diphenyl-2H-imidazole
CID 69391122

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2-butyl-3-phenyl-4-phenylsulfanylthiazetidine 1,1-dioxide?
The IUPAC name of (3R,4R)-2-butyl-3-phenyl-4-phenylsulfanylthiazetidine 1,1-dioxide (CID 10521627) is (3R,4R)-2-butyl-3-phenyl-4-phenylsulfanylthiazetidine 1,1-dioxide.
What is the SMILES notation for (3R,4R)-2-butyl-3-phenyl-4-phenylsulfanylthiazetidine 1,1-dioxide?
The canonical SMILES for (3R,4R)-2-butyl-3-phenyl-4-phenylsulfanylthiazetidine 1,1-dioxide is CCCCN1[C@H](c2ccccc2)[C@H](Sc2ccccc2)S1(=O)=O.
What is the InChIKey of (3R,4R)-2-butyl-3-phenyl-4-phenylsulfanylthiazetidine 1,1-dioxide?
The InChIKey is CZBWVEKIKNMCRB-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H21NO2S2/c1-2-3-14-19-17(15-10-6-4-7-11-15)18(23(19,20)21)22-16-12-8-5-9-13-16/h4-13,17-18H,2-3,14H2,1H3/t17-,18-/m1/s1.
What are the key properties of (3R,4R)-2-butyl-3-phenyl-4-phenylsulfanylthiazetidine 1,1-dioxide?
(3R,4R)-2-butyl-3-phenyl-4-phenylsulfanylthiazetidine 1,1-dioxide has a molecular weight of 347.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2-butyl-3-phenyl-4-phenylsulfanylthiazetidine 1,1-dioxide is sourced from PubChem (CID 10521627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).