1-ethyl-4-[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]piperazine

C13H23N5O2S — CID 126892012

IUPAC1-ethyl-4-[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]piperazine
SMILESCCN1CCN(C2CN(S(=O)(=O)c3nccn3C)C2)CC1
InChIInChI=1S/C13H23N5O2S/c1-3-16-6-8-17(9-7-16)12-10-18(11-12)21(19,20)13-14-4-5-15(13)2/h4-5,12H,3,6-11H2,1-2H3
InChIKeyOVDUSTZUMDVBHW-UHFFFAOYSA-N
MW313.43 g/mol
LogP-0.57
Rot. Bonds4

About 1-ethyl-4-[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]piperazine

1-ethyl-4-[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]piperazine (PubChem CID 126892012) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 1-ethyl-4-[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]piperazine
PubChem CID126892012
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name1-ethyl-4-[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]piperazine
SMILESCCN1CCN(C2CN(S(=O)(=O)c3nccn3C)C2)CC1
InChIInChI=1S/C13H23N5O2S/c1-3-16-6-8-17(9-7-16)12-10-18(11-12)21(19,20)13-14-4-5-15(13)2/h4-5,12H,3,6-11H2,1-2H3
InChIKeyOVDUSTZUMDVBHW-UHFFFAOYSA-N
XLogP-0.57
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]piperazine?
The IUPAC name of 1-ethyl-4-[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]piperazine (CID 126892012) is 1-ethyl-4-[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]piperazine is CCN1CCN(C2CN(S(=O)(=O)c3nccn3C)C2)CC1.
What is the InChIKey of 1-ethyl-4-[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]piperazine?
The InChIKey is OVDUSTZUMDVBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-3-16-6-8-17(9-7-16)12-10-18(11-12)21(19,20)13-14-4-5-15(13)2/h4-5,12H,3,6-11H2,1-2H3.
What are the key properties of 1-ethyl-4-[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]piperazine?
1-ethyl-4-[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]piperazine has a molecular weight of 313.43 g/mol, XLogP of -0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]piperazine is sourced from PubChem (CID 126892012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).