2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine

C9H14N2O2S2 — CID 62651325

IUPAC2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine
SMILESCC(CN)c1nc2c(s1)CS(=O)(=O)CC2
InChIInChI=1S/C9H14N2O2S2/c1-6(4-10)9-11-7-2-3-15(12,13)5-8(7)14-9/h6H,2-5,10H2,1H3
InChIKeyUIYODIMPKUBVOU-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.68
Rot. Bonds2

About 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine

2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine (PubChem CID 62651325) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine
PubChem CID62651325
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine
SMILESCC(CN)c1nc2c(s1)CS(=O)(=O)CC2
InChIInChI=1S/C9H14N2O2S2/c1-6(4-10)9-11-7-2-3-15(12,13)5-8(7)14-9/h6H,2-5,10H2,1H3
InChIKeyUIYODIMPKUBVOU-UHFFFAOYSA-N
XLogP0.68
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine with MolForge

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Related Compounds

2-(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine
CID 62704098
5,5-dioxo-N-propyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine
CID 62941809
2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide
CID 130511969
6,7-dihydro-4H-thiopyrano[4,3-d]thiadiazole 5,5-dioxide
CID 171989451
(1S)-2-amino-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol
CID 82670663
2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)pyridine-4-carboxylic acid
CID 104826812
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
CID 4311279
3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-amine
CID 82098278
2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine
CID 61335438
N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3,3-dimethylpyrrolidine-2-carboxamide
CID 154769322
5-ethyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 70919757
5-acetyl-2-(1-aminopropan-2-yl)-1,3-thiazole-4-carboxylic acid
CID 107380159

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine?
The IUPAC name of 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine (CID 62651325) is 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine?
The canonical SMILES for 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine is CC(CN)c1nc2c(s1)CS(=O)(=O)CC2.
What is the InChIKey of 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine?
The InChIKey is UIYODIMPKUBVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-6(4-10)9-11-7-2-3-15(12,13)5-8(7)14-9/h6H,2-5,10H2,1H3.
What are the key properties of 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine?
2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine has a molecular weight of 246.36 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 62651325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).