5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine

C11H18N4O2S — CID 77080738

IUPAC5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(CN2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C11H18N4O2S/c1-14(2)11-12-7-10(8-13-11)9-15-3-5-18(16,17)6-4-15/h7-8H,3-6,9H2,1-2H3
InChIKeyMRLHAKVQDJZAOL-UHFFFAOYSA-N
MW270.36 g/mol
LogP-0.23
Rot. Bonds3

About 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine

5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 77080738) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
PubChem CID77080738
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(CN2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C11H18N4O2S/c1-14(2)11-12-7-10(8-13-11)9-15-3-5-18(16,17)6-4-15/h7-8H,3-6,9H2,1-2H3
InChIKeyMRLHAKVQDJZAOL-UHFFFAOYSA-N
XLogP-0.23
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine (CID 77080738) is 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine is CN(C)c1ncc(CN2CCS(=O)(=O)CC2)cn1.
What is the InChIKey of 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is MRLHAKVQDJZAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-14(2)11-12-7-10(8-13-11)9-15-3-5-18(16,17)6-4-15/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine?
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 270.36 g/mol, XLogP of -0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 77080738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).