1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide

C11H20N4O4S2 — CID 62064478

IUPAC1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)N2CCCC(S(N)(=O)=O)C2)nc1C
InChIInChI=1S/C11H20N4O4S2/c1-3-14-8-11(13-9(14)2)21(18,19)15-6-4-5-10(7-15)20(12,16)17/h8,10H,3-7H2,1-2H3,(H2,12,16,17)
InChIKeyRLXNHXVPNMPOSB-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.35
Rot. Bonds4

About 1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide

1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide (PubChem CID 62064478) has the molecular formula C11H20N4O4S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide
PubChem CID62064478
Molecular FormulaC11H20N4O4S2
Molecular Weight336.44 g/mol
Exact Mass336.09
IUPAC Name1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)N2CCCC(S(N)(=O)=O)C2)nc1C
InChIInChI=1S/C11H20N4O4S2/c1-3-14-8-11(13-9(14)2)21(18,19)15-6-4-5-10(7-15)20(12,16)17/h8,10H,3-7H2,1-2H3,(H2,12,16,17)
InChIKeyRLXNHXVPNMPOSB-UHFFFAOYSA-N
XLogP-0.35
TPSA115.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide?
The IUPAC name of 1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide (CID 62064478) is 1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide?
The canonical SMILES for 1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide is CCn1cc(S(=O)(=O)N2CCCC(S(N)(=O)=O)C2)nc1C.
What is the InChIKey of 1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide?
The InChIKey is RLXNHXVPNMPOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S2/c1-3-14-8-11(13-9(14)2)21(18,19)15-6-4-5-10(7-15)20(12,16)17/h8,10H,3-7H2,1-2H3,(H2,12,16,17).
What are the key properties of 1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide?
1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide is sourced from PubChem (CID 62064478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).