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

C12H16N4O2S2 — CID 102886372

IUPAC2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC1CS(=O)(=O)CCN1Cc1nc(N)c2ccsc2n1
InChIInChI=1S/C12H16N4O2S2/c1-8-7-20(17,18)5-3-16(8)6-10-14-11(13)9-2-4-19-12(9)15-10/h2,4,8H,3,5-7H2,1H3,(H2,13,14,15)
InChIKeyQROHLMBZBDTBDN-UHFFFAOYSA-N
MW312.42 g/mol
LogP0.89
Rot. Bonds2

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

2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 102886372) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID102886372
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC1CS(=O)(=O)CCN1Cc1nc(N)c2ccsc2n1
InChIInChI=1S/C12H16N4O2S2/c1-8-7-20(17,18)5-3-16(8)6-10-14-11(13)9-2-4-19-12(9)15-10/h2,4,8H,3,5-7H2,1H3,(H2,13,14,15)
InChIKeyQROHLMBZBDTBDN-UHFFFAOYSA-N
XLogP0.89
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 102886372) is 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CC1CS(=O)(=O)CCN1Cc1nc(N)c2ccsc2n1.
What is the InChIKey of 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QROHLMBZBDTBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-8-7-20(17,18)5-3-16(8)6-10-14-11(13)9-2-4-19-12(9)15-10/h2,4,8H,3,5-7H2,1H3,(H2,13,14,15).
What are the key properties of 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 312.42 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 102886372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).