(3R)-3,4-bis(4-methylphenyl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide

C16H16N2O2S — CID 95561842

IUPAC(3R)-3,4-bis(4-methylphenyl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide
SMILESCc1ccc(C2=NS(=O)(=O)N[C@@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16N2O2S/c1-11-3-7-13(8-4-11)15-16(18-21(19,20)17-15)14-9-5-12(2)6-10-14/h3-10,15,17H,1-2H3/t15-/m1/s1
InChIKeyFNOHWXWMSPUXPW-OAHLLOKOSA-N
MW300.38 g/mol
LogP2.68
Rot. Bonds2

About (3R)-3,4-bis(4-methylphenyl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide

(3R)-3,4-bis(4-methylphenyl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide (PubChem CID 95561842) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is (3R)-3,4-bis(4-methylphenyl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3,4-bis(4-methylphenyl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide
PubChem CID95561842
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name(3R)-3,4-bis(4-methylphenyl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide
SMILESCc1ccc(C2=NS(=O)(=O)N[C@@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16N2O2S/c1-11-3-7-13(8-4-11)15-16(18-21(19,20)17-15)14-9-5-12(2)6-10-14/h3-10,15,17H,1-2H3/t15-/m1/s1
InChIKeyFNOHWXWMSPUXPW-OAHLLOKOSA-N
XLogP2.68
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione
CID 25220246
3-(4-methylphenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 25029574
(4R)-4-(4-methylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide
CID 102102384
(3S,4R)-3-(4-methylphenyl)-4-phenyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 10891528
5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazinan-3-one
CID 67121822
4-amino-5-(4-methylphenyl)-1,5-dihydroimidazol-2-one
CID 79961557
2-(4-methylphenyl)-2,6-dihydro-1H-pyridin-3-one
CID 57274969
5-methyl-3-(4-methylphenyl)-1,4-thiazepane 1,1-dioxide
CID 66232409
(3R)-3-(2-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine
CID 886630
3-[4-(4-methylphenyl)phenyl]azetidine
CID 154791478
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide
CID 66218189

Frequently Asked Questions

What is the IUPAC name of (3R)-3,4-bis(4-methylphenyl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide?
The IUPAC name of (3R)-3,4-bis(4-methylphenyl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide (CID 95561842) is (3R)-3,4-bis(4-methylphenyl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide.
What is the SMILES notation for (3R)-3,4-bis(4-methylphenyl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide?
The canonical SMILES for (3R)-3,4-bis(4-methylphenyl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide is Cc1ccc(C2=NS(=O)(=O)N[C@@H]2c2ccc(C)cc2)cc1.
What is the InChIKey of (3R)-3,4-bis(4-methylphenyl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide?
The InChIKey is FNOHWXWMSPUXPW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-3-7-13(8-4-11)15-16(18-21(19,20)17-15)14-9-5-12(2)6-10-14/h3-10,15,17H,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3,4-bis(4-methylphenyl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide?
(3R)-3,4-bis(4-methylphenyl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide has a molecular weight of 300.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4-bis(4-methylphenyl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide is sourced from PubChem (CID 95561842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).