1-[4-(5-amino-3-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone

C10H17N5O3S — CID 63978094

IUPAC1-[4-(5-amino-3-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2c(N)ncn2C)CC1
InChIInChI=1S/C10H17N5O3S/c1-8(16)14-3-5-15(6-4-14)19(17,18)10-9(11)12-7-13(10)2/h7H,3-6,11H2,1-2H3
InChIKeyGOZXBUFLOKJBHE-UHFFFAOYSA-N
MW287.34 g/mol
LogP-1.14
Rot. Bonds2

About 1-[4-(5-amino-3-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone

1-[4-(5-amino-3-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 63978094) has the molecular formula C10H17N5O3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-[4-(5-amino-3-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-amino-3-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone
PubChem CID63978094
Molecular FormulaC10H17N5O3S
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC Name1-[4-(5-amino-3-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2c(N)ncn2C)CC1
InChIInChI=1S/C10H17N5O3S/c1-8(16)14-3-5-15(6-4-14)19(17,18)10-9(11)12-7-13(10)2/h7H,3-6,11H2,1-2H3
InChIKeyGOZXBUFLOKJBHE-UHFFFAOYSA-N
XLogP-1.14
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
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-[4-(5-amino-3-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-amino-3-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone (CID 63978094) is 1-[4-(5-amino-3-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-amino-3-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-amino-3-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2c(N)ncn2C)CC1.
What is the InChIKey of 1-[4-(5-amino-3-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is GOZXBUFLOKJBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-8(16)14-3-5-15(6-4-14)19(17,18)10-9(11)12-7-13(10)2/h7H,3-6,11H2,1-2H3.
What are the key properties of 1-[4-(5-amino-3-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone?
1-[4-(5-amino-3-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 287.34 g/mol, XLogP of -1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-3-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 63978094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).