(3R)-3-(2-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine

C9H11N3O2S — CID 886630

IUPAC(3R)-3-(2-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine
SMILESCc1ccccc1[C@H]1NS(=O)(=O)N=C1N
InChIInChI=1S/C9H11N3O2S/c1-6-4-2-3-5-7(6)8-9(10)12-15(13,14)11-8/h2-5,8,11H,1H3,(H2,10,12)/t8-/m1/s1
InChIKeyBEGNLJSDDMZXCJ-MRVPVSSYSA-N
MW225.27 g/mol
LogP0.24
Rot. Bonds1

About (3R)-3-(2-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine

(3R)-3-(2-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine (PubChem CID 886630) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is (3R)-3-(2-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine.

Molecular Properties

Compound Name(3R)-3-(2-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine
PubChem CID886630
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name(3R)-3-(2-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine
SMILESCc1ccccc1[C@H]1NS(=O)(=O)N=C1N
InChIInChI=1S/C9H11N3O2S/c1-6-4-2-3-5-7(6)8-9(10)12-15(13,14)11-8/h2-5,8,11H,1H3,(H2,10,12)/t8-/m1/s1
InChIKeyBEGNLJSDDMZXCJ-MRVPVSSYSA-N
XLogP0.24
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one
CID 79960820
3-(2-methylphenyl)-1,1-dioxothian-4-amine
CID 84799838
(4S)-2-methyl-4-(2-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 138857823
5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 67931396
[4-(2-methylphenyl)-1,1-dioxothiolan-3-yl]methanamine
CID 84799841
(3R)-3,4-bis(4-methylphenyl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide
CID 95561842
4-(2-methylphenyl)-4H-1,3-thiazin-2-amine
CID 86129491
2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 23215000
3-(2-methylphenyl)-4,5-dihydro-3H-pyrazole
CID 54133918
(4R)-8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 93344706
(3S,4R,5R)-3,4,5-trimethyl-2,3,4,5-tetrahydro-1λ6-benzothiepine 1,1-dioxide
CID 59108983
(5R)-5-(2-methylphenyl)pyrrolidin-2-one
CID 124706826

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine?
The IUPAC name of (3R)-3-(2-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine (CID 886630) is (3R)-3-(2-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine.
What is the SMILES notation for (3R)-3-(2-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine?
The canonical SMILES for (3R)-3-(2-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine is Cc1ccccc1[C@H]1NS(=O)(=O)N=C1N.
What is the InChIKey of (3R)-3-(2-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine?
The InChIKey is BEGNLJSDDMZXCJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-6-4-2-3-5-7(6)8-9(10)12-15(13,14)11-8/h2-5,8,11H,1H3,(H2,10,12)/t8-/m1/s1.
What are the key properties of (3R)-3-(2-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine?
(3R)-3-(2-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine has a molecular weight of 225.27 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine is sourced from PubChem (CID 886630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).