1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide

C9H16N4O2S — CID 62375787

IUPAC1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCNCC2)c1
InChIInChI=1S/C9H16N4O2S/c1-13-6-9(11-7-13)16(14,15)12-8-2-4-10-5-3-8/h6-8,10,12H,2-5H2,1H3
InChIKeyKEFTZUJGUMUCAN-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.55
Rot. Bonds3

About 1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide

1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide (PubChem CID 62375787) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide
PubChem CID62375787
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCNCC2)c1
InChIInChI=1S/C9H16N4O2S/c1-13-6-9(11-7-13)16(14,15)12-8-2-4-10-5-3-8/h6-8,10,12H,2-5H2,1H3
InChIKeyKEFTZUJGUMUCAN-UHFFFAOYSA-N
XLogP-0.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide (CID 62375787) is 1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC2CCNCC2)c1.
What is the InChIKey of 1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide?
The InChIKey is KEFTZUJGUMUCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-13-6-9(11-7-13)16(14,15)12-8-2-4-10-5-3-8/h6-8,10,12H,2-5H2,1H3.
What are the key properties of 1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide?
1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide is sourced from PubChem (CID 62375787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).