N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine

C14H20N4O2S2 — CID 75433512

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCCN2CCS(=O)(=O)CC2)c2ccsc2n1
InChIInChI=1S/C14H20N4O2S2/c1-2-12-16-13(11-3-8-21-14(11)17-12)15-4-5-18-6-9-22(19,20)10-7-18/h3,8H,2,4-7,9-10H2,1H3,(H,15,16,17)
InChIKeyFXYADLBLZPQKIX-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.40
Rot. Bonds5

About N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 75433512) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID75433512
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCCN2CCS(=O)(=O)CC2)c2ccsc2n1
InChIInChI=1S/C14H20N4O2S2/c1-2-12-16-13(11-3-8-21-14(11)17-12)15-4-5-18-6-9-22(19,20)10-7-18/h3,8H,2,4-7,9-10H2,1H3,(H,15,16,17)
InChIKeyFXYADLBLZPQKIX-UHFFFAOYSA-N
XLogP1.40
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine (CID 75433512) is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCCN2CCS(=O)(=O)CC2)c2ccsc2n1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FXYADLBLZPQKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-2-12-16-13(11-3-8-21-14(11)17-12)15-4-5-18-6-9-22(19,20)10-7-18/h3,8H,2,4-7,9-10H2,1H3,(H,15,16,17).
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine?
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 340.47 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 75433512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).