2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide

C9H11NO2S2 — CID 130511969

IUPAC2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide
SMILESO=S1(=O)CCc2nc(C3CC3)sc2C1
InChIInChI=1S/C9H11NO2S2/c11-14(12)4-3-7-8(5-14)13-9(10-7)6-1-2-6/h6H,1-5H2
InChIKeyVCRACABARNMHSE-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.49
Rot. Bonds1

About 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide

2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide (PubChem CID 130511969) has the molecular formula C9H11NO2S2 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide.

Molecular Properties

Compound Name2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide
PubChem CID130511969
Molecular FormulaC9H11NO2S2
Molecular Weight229.33 g/mol
Exact Mass229.02
IUPAC Name2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide
SMILESO=S1(=O)CCc2nc(C3CC3)sc2C1
InChIInChI=1S/C9H11NO2S2/c11-14(12)4-3-7-8(5-14)13-9(10-7)6-1-2-6/h6H,1-5H2
InChIKeyVCRACABARNMHSE-UHFFFAOYSA-N
XLogP1.49
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine
CID 62651325
5,5-dioxo-N-propyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine
CID 62941809
6,7-dihydro-4H-thiopyrano[4,3-d]thiadiazole 5,5-dioxide
CID 171989451
6-methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
CID 19969929
N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3,3-dimethylpyrrolidine-2-carboxamide
CID 154769322
2-(oxan-4-yl)-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide
CID 162325589
2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)pyridine-4-carboxylic acid
CID 104826812
[(6S)-2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate
CID 175514087
2,2-dimethyl-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110289961
2-cyclopropyl-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-6-amine
CID 177304818
5-methyl-2-piperidin-4-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
CID 96605170
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 112681683

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide?
The IUPAC name of 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide (CID 130511969) is 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide.
What is the SMILES notation for 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide?
The canonical SMILES for 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide is O=S1(=O)CCc2nc(C3CC3)sc2C1.
What is the InChIKey of 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide?
The InChIKey is VCRACABARNMHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S2/c11-14(12)4-3-7-8(5-14)13-9(10-7)6-1-2-6/h6H,1-5H2.
What are the key properties of 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide?
2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide has a molecular weight of 229.33 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide is sourced from PubChem (CID 130511969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).