2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C11H14N4O2S2 — CID 62182765

IUPAC2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CN2CCS(=O)(=O)CC2)nc2sccc12
InChIInChI=1S/C11H14N4O2S2/c12-10-8-1-4-18-11(8)14-9(13-10)7-15-2-5-19(16,17)6-3-15/h1,4H,2-3,5-7H2,(H2,12,13,14)
InChIKeyTWBSYDCTKDHXTD-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.50
Rot. Bonds2

About 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62182765) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62182765
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CN2CCS(=O)(=O)CC2)nc2sccc12
InChIInChI=1S/C11H14N4O2S2/c12-10-8-1-4-18-11(8)14-9(13-10)7-15-2-5-19(16,17)6-3-15/h1,4H,2-3,5-7H2,(H2,12,13,14)
InChIKeyTWBSYDCTKDHXTD-UHFFFAOYSA-N
XLogP0.50
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 102886372
2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62209739
2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208113
2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]acetamide
CID 62209002
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 115561742
1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol
CID 62208261
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 64579820
4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one
CID 79467885
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82753106
2-[(5-bromo-3-nitro-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103099233
2-[(2-methylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 55046528
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63236440

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62182765) is 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is Nc1nc(CN2CCS(=O)(=O)CC2)nc2sccc12.
What is the InChIKey of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is TWBSYDCTKDHXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c12-10-8-1-4-18-11(8)14-9(13-10)7-15-2-5-19(16,17)6-3-15/h1,4H,2-3,5-7H2,(H2,12,13,14).
What are the key properties of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62182765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).