1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide

C12H23N5O2S — CID 79373044

IUPAC1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(C)CCN2CCNCC2)c1
InChIInChI=1S/C12H23N5O2S/c1-3-16-10-12(14-11-16)20(18,19)15(2)8-9-17-6-4-13-5-7-17/h10-11,13H,3-9H2,1-2H3
InChIKeyAOLIPFQUCPCPFX-UHFFFAOYSA-N
MW301.42 g/mol
LogP-0.57
Rot. Bonds6

About 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide

1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide (PubChem CID 79373044) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide
PubChem CID79373044
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(C)CCN2CCNCC2)c1
InChIInChI=1S/C12H23N5O2S/c1-3-16-10-12(14-11-16)20(18,19)15(2)8-9-17-6-4-13-5-7-17/h10-11,13H,3-9H2,1-2H3
InChIKeyAOLIPFQUCPCPFX-UHFFFAOYSA-N
XLogP-0.57
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide (CID 79373044) is 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)N(C)CCN2CCNCC2)c1.
What is the InChIKey of 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide?
The InChIKey is AOLIPFQUCPCPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-3-16-10-12(14-11-16)20(18,19)15(2)8-9-17-6-4-13-5-7-17/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide?
1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of -0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 79373044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).