5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione

C16H27N5O7S2 — CID 43063031

IUPAC5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCC1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)CC(C)O1
InChIInChI=1S/C16H27N5O7S2/c1-12-9-21(10-13(2)28-12)30(26,27)20-7-5-19(6-8-20)29(24,25)14-11-17(3)16(23)18(4)15(14)22/h11-13H,5-10H2,1-4H3
InChIKeyXLTDCTCELYNMHO-UHFFFAOYSA-N
MW465.55 g/mol
LogP-2.26
Rot. Bonds4

About 5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione

5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43063031) has the molecular formula C16H27N5O7S2 and a molecular weight of 465.55 g/mol. Its IUPAC name is 5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43063031
Molecular FormulaC16H27N5O7S2
Molecular Weight465.55 g/mol
Exact Mass465.14
IUPAC Name5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCC1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)CC(C)O1
InChIInChI=1S/C16H27N5O7S2/c1-12-9-21(10-13(2)28-12)30(26,27)20-7-5-19(6-8-20)29(24,25)14-11-17(3)16(23)18(4)15(14)22/h11-13H,5-10H2,1-4H3
InChIKeyXLTDCTCELYNMHO-UHFFFAOYSA-N
XLogP-2.26
TPSA131.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 5-2.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione (CID 43063031) is 5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione is CC1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)CC(C)O1.
What is the InChIKey of 5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is XLTDCTCELYNMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O7S2/c1-12-9-21(10-13(2)28-12)30(26,27)20-7-5-19(6-8-20)29(24,25)14-11-17(3)16(23)18(4)15(14)22/h11-13H,5-10H2,1-4H3.
What are the key properties of 5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 465.55 g/mol, XLogP of -2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43063031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).