1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide

C9H16N4O4S2 — CID 55068567

IUPAC1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(S(N)(=O)=O)C2)c1
InChIInChI=1S/C9H16N4O4S2/c1-12-6-9(11-7-12)19(16,17)13-4-2-3-8(5-13)18(10,14)15/h6-8H,2-5H2,1H3,(H2,10,14,15)
InChIKeyCISDFTBIDDRYJB-UHFFFAOYSA-N
MW308.38 g/mol
LogP-1.14
Rot. Bonds3

About 1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide

1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide (PubChem CID 55068567) has the molecular formula C9H16N4O4S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide
PubChem CID55068567
Molecular FormulaC9H16N4O4S2
Molecular Weight308.38 g/mol
Exact Mass308.06
IUPAC Name1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(S(N)(=O)=O)C2)c1
InChIInChI=1S/C9H16N4O4S2/c1-12-6-9(11-7-12)19(16,17)13-4-2-3-8(5-13)18(10,14)15/h6-8H,2-5H2,1H3,(H2,10,14,15)
InChIKeyCISDFTBIDDRYJB-UHFFFAOYSA-N
XLogP-1.14
TPSA115.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide?
The IUPAC name of 1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide (CID 55068567) is 1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide?
The canonical SMILES for 1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide is Cn1cnc(S(=O)(=O)N2CCCC(S(N)(=O)=O)C2)c1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide?
The InChIKey is CISDFTBIDDRYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S2/c1-12-6-9(11-7-12)19(16,17)13-4-2-3-8(5-13)18(10,14)15/h6-8H,2-5H2,1H3,(H2,10,14,15).
What are the key properties of 1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide?
1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide has a molecular weight of 308.38 g/mol, XLogP of -1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide is sourced from PubChem (CID 55068567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).