N-[(3R)-1,1-dioxothiolan-3-yl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C15H24N6O4S — CID 35520657

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESO=S1(=O)CC[C@@H](Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C15H24N6O4S/c22-26(23)10-1-12(11-26)16-13-17-14(20-2-6-24-7-3-20)19-15(18-13)21-4-8-25-9-5-21/h12H,1-11H2,(H,16,17,18,19)/t12-/m1/s1
InChIKeySPBIJNYPKPVSDV-GFCCVEGCSA-N
MW384.46 g/mol
LogP-0.86
Rot. Bonds4

About N-[(3R)-1,1-dioxothiolan-3-yl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-[(3R)-1,1-dioxothiolan-3-yl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 35520657) has the molecular formula C15H24N6O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID35520657
Molecular FormulaC15H24N6O4S
Molecular Weight384.46 g/mol
Exact Mass384.16
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESO=S1(=O)CC[C@@H](Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C15H24N6O4S/c22-26(23)10-1-12(11-26)16-13-17-14(20-2-6-24-7-3-20)19-15(18-13)21-4-8-25-9-5-21/h12H,1-11H2,(H,16,17,18,19)/t12-/m1/s1
InChIKeySPBIJNYPKPVSDV-GFCCVEGCSA-N
XLogP-0.86
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[(3R)-1,1-dioxothiolan-3-yl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2-N-(1,1-dioxothiolan-3-yl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 45133453
4-chloro-N-(1,1-dioxothian-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 63924542
2-N-cyclopropyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80769956
4-N-methyl-6-morpholin-4-yl-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 80853559
N-cyclopropyl-4-(2-methylcyclopropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;N,4-dicyclopropyl-6-(1,1-dioxo-1,3-thiazolidin-3-yl)-1,3,5-triazin-2-amine;molecular hydrogen
CID 158349257
2-N-cyclobutyl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80826457
N-(1,1-dioxothiolan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884026
N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine
CID 63162966
2-N-(1,1-dioxothiolan-3-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80772132
4-chloro-N-(1,1-dioxothiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62869890
2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 685113
2-N-(3,3-dimethylcyclopentyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 114542148

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 35520657) is N-[(3R)-1,1-dioxothiolan-3-yl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is O=S1(=O)CC[C@@H](Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is SPBIJNYPKPVSDV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N6O4S/c22-26(23)10-1-12(11-26)16-13-17-14(20-2-6-24-7-3-20)19-15(18-13)21-4-8-25-9-5-21/h12H,1-11H2,(H,16,17,18,19)/t12-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-[(3R)-1,1-dioxothiolan-3-yl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 384.46 g/mol, XLogP of -0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 35520657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).