1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide

C10H18N4O4S2 — CID 62063372

IUPAC1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide
SMILESCc1nc(S(=O)(=O)N2CCCC(S(N)(=O)=O)C2)cn1C
InChIInChI=1S/C10H18N4O4S2/c1-8-12-10(7-13(8)2)20(17,18)14-5-3-4-9(6-14)19(11,15)16/h7,9H,3-6H2,1-2H3,(H2,11,15,16)
InChIKeyMBMHDUNQFDMBPC-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.83
Rot. Bonds3

About 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide

1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide (PubChem CID 62063372) has the molecular formula C10H18N4O4S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide
PubChem CID62063372
Molecular FormulaC10H18N4O4S2
Molecular Weight322.41 g/mol
Exact Mass322.08
IUPAC Name1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide
SMILESCc1nc(S(=O)(=O)N2CCCC(S(N)(=O)=O)C2)cn1C
InChIInChI=1S/C10H18N4O4S2/c1-8-12-10(7-13(8)2)20(17,18)14-5-3-4-9(6-14)19(11,15)16/h7,9H,3-6H2,1-2H3,(H2,11,15,16)
InChIKeyMBMHDUNQFDMBPC-UHFFFAOYSA-N
XLogP-0.83
TPSA115.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide (CID 62063372) is 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide is Cc1nc(S(=O)(=O)N2CCCC(S(N)(=O)=O)C2)cn1C.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide?
The InChIKey is MBMHDUNQFDMBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S2/c1-8-12-10(7-13(8)2)20(17,18)14-5-3-4-9(6-14)19(11,15)16/h7,9H,3-6H2,1-2H3,(H2,11,15,16).
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide?
1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide has a molecular weight of 322.41 g/mol, XLogP of -0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide is sourced from PubChem (CID 62063372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).