1,3-dimethyl-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione

C17H28N4O4S — CID 118308418

IUPAC1,3-dimethyl-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione
SMILESCC1CCN(C2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)CC1
InChIInChI=1S/C17H28N4O4S/c1-13-4-8-20(9-5-13)14-6-10-21(11-7-14)26(24,25)15-12-18(2)17(23)19(3)16(15)22/h12-14H,4-11H2,1-3H3
InChIKeyBDFAOZUCQAENCO-UHFFFAOYSA-N
MW384.50 g/mol
LogP-0.03
Rot. Bonds3

About 1,3-dimethyl-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione

1,3-dimethyl-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione (PubChem CID 118308418) has the molecular formula C17H28N4O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione
PubChem CID118308418
Molecular FormulaC17H28N4O4S
Molecular Weight384.50 g/mol
Exact Mass384.18
IUPAC Name1,3-dimethyl-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione
SMILESCC1CCN(C2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)CC1
InChIInChI=1S/C17H28N4O4S/c1-13-4-8-20(9-5-13)14-6-10-21(11-7-14)26(24,25)15-12-18(2)17(23)19(3)16(15)22/h12-14H,4-11H2,1-3H3
InChIKeyBDFAOZUCQAENCO-UHFFFAOYSA-N
XLogP-0.03
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione (CID 118308418) is 1,3-dimethyl-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione is CC1CCN(C2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)CC1.
What is the InChIKey of 1,3-dimethyl-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione?
The InChIKey is BDFAOZUCQAENCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S/c1-13-4-8-20(9-5-13)14-6-10-21(11-7-14)26(24,25)15-12-18(2)17(23)19(3)16(15)22/h12-14H,4-11H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione?
1,3-dimethyl-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione has a molecular weight of 384.50 g/mol, XLogP of -0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione is sourced from PubChem (CID 118308418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).