3-(benzenesulfonyl)-5,5-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine

C15H23NO2S2 — CID 163924783

IUPAC3-(benzenesulfonyl)-5,5-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine
SMILESCC(C)CC1N(S(=O)(=O)c2ccccc2)CSC1(C)C
InChIInChI=1S/C15H23NO2S2/c1-12(2)10-14-15(3,4)19-11-16(14)20(17,18)13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3
InChIKeyCBYZYIQGYZKOJU-UHFFFAOYSA-N
MW313.49 g/mol
LogP3.57
Rot. Bonds4

About 3-(benzenesulfonyl)-5,5-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine

3-(benzenesulfonyl)-5,5-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine (PubChem CID 163924783) has the molecular formula C15H23NO2S2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5,5-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5,5-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine
PubChem CID163924783
Molecular FormulaC15H23NO2S2
Molecular Weight313.49 g/mol
Exact Mass313.12
IUPAC Name3-(benzenesulfonyl)-5,5-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine
SMILESCC(C)CC1N(S(=O)(=O)c2ccccc2)CSC1(C)C
InChIInChI=1S/C15H23NO2S2/c1-12(2)10-14-15(3,4)19-11-16(14)20(17,18)13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3
InChIKeyCBYZYIQGYZKOJU-UHFFFAOYSA-N
XLogP3.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[Methyl(phenylsulfonyl)amino]thiolane-1,1-dione
CID 3152342
1-(4-Methylsulfanylphenyl)sulfonylpyrrolidine
CID 967574
3-{Butyl[(4-methylphenyl)sulfonyl]amino}thiolane-1,1-dione
CID 2857218
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylbenzenesulfonamide
CID 18573649
1-[3-(Methylsulfanylmethyl)phenyl]sulfonylpyrrolidine
CID 71688901
1-(Methylsulfonyl)-2-((phenylsulfonyl)methyl)pyrrolidine
CID 71805892
1-Methylsulfonyl-3-(phenylsulfanylmethyl)pyrrolidine
CID 71997175
1-Ethylsulfonyl-3-(phenylsulfanylmethyl)pyrrolidine
CID 71997177
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethyl-4-methylbenzenesulfonamide
CID 4921171
N-benzenesulfonyl 2-methylpyrrolidine
CID 12323700
3-[Butyl(phenylsulfonyl)amino]-1-hydroxythiolan-1-one
CID 2905982
N-butyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide
CID 2978764

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5,5-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine?
The IUPAC name of 3-(benzenesulfonyl)-5,5-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine (CID 163924783) is 3-(benzenesulfonyl)-5,5-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(benzenesulfonyl)-5,5-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine?
The canonical SMILES for 3-(benzenesulfonyl)-5,5-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine is CC(C)CC1N(S(=O)(=O)c2ccccc2)CSC1(C)C.
What is the InChIKey of 3-(benzenesulfonyl)-5,5-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine?
The InChIKey is CBYZYIQGYZKOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S2/c1-12(2)10-14-15(3,4)19-11-16(14)20(17,18)13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3.
What are the key properties of 3-(benzenesulfonyl)-5,5-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine?
3-(benzenesulfonyl)-5,5-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine has a molecular weight of 313.49 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5,5-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine is sourced from PubChem (CID 163924783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).