5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione

C11H18N4O4S — CID 63249028

IUPAC5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
SMILESCNCC1CCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H18N4O4S/c1-12-6-8-2-4-15(5-3-8)20(18,19)9-7-13-11(17)14-10(9)16/h7-8,12H,2-6H2,1H3,(H2,13,14,16,17)
InChIKeyBCNXJJRIGLOIHQ-UHFFFAOYSA-N
MW302.36 g/mol
LogP-1.32
Rot. Bonds4

About 5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione

5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione (PubChem CID 63249028) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
PubChem CID63249028
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
SMILESCNCC1CCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H18N4O4S/c1-12-6-8-2-4-15(5-3-8)20(18,19)9-7-13-11(17)14-10(9)16/h7-8,12H,2-6H2,1H3,(H2,13,14,16,17)
InChIKeyBCNXJJRIGLOIHQ-UHFFFAOYSA-N
XLogP-1.32
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione (CID 63249028) is 5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione is CNCC1CCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The InChIKey is BCNXJJRIGLOIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-12-6-8-2-4-15(5-3-8)20(18,19)9-7-13-11(17)14-10(9)16/h7-8,12H,2-6H2,1H3,(H2,13,14,16,17).
What are the key properties of 5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione has a molecular weight of 302.36 g/mol, XLogP of -1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 63249028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).