1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide

C16H24N6O2S — CID 122299919

IUPAC1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)nc2)nc1C
InChIInChI=1S/C16H24N6O2S/c1-4-21-11-15(19-13(21)3)25(23,24)20-14-9-17-16(18-10-14)22-7-5-12(2)6-8-22/h9-12,20H,4-8H2,1-3H3
InChIKeyOBOOOSZUKKZQQO-UHFFFAOYSA-N
MW364.48 g/mol
LogP2.04
Rot. Bonds5

About 1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide

1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide (PubChem CID 122299919) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
PubChem CID122299919
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC Name1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)nc2)nc1C
InChIInChI=1S/C16H24N6O2S/c1-4-21-11-15(19-13(21)3)25(23,24)20-14-9-17-16(18-10-14)22-7-5-12(2)6-8-22/h9-12,20H,4-8H2,1-3H3
InChIKeyOBOOOSZUKKZQQO-UHFFFAOYSA-N
XLogP2.04
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide (CID 122299919) is 1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)nc2)nc1C.
What is the InChIKey of 1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide?
The InChIKey is OBOOOSZUKKZQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-4-21-11-15(19-13(21)3)25(23,24)20-14-9-17-16(18-10-14)22-7-5-12(2)6-8-22/h9-12,20H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide?
1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide has a molecular weight of 364.48 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 122299919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).