1-(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)-4-ethylsulfonylpiperazine

C14H25N5O2S — CID 164637130

IUPAC1-(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(c2nnc(C3CCCC3)n2C)CC1
InChIInChI=1S/C14H25N5O2S/c1-3-22(20,21)19-10-8-18(9-11-19)14-16-15-13(17(14)2)12-6-4-5-7-12/h12H,3-11H2,1-2H3
InChIKeyYPGBXSHXWJULJG-UHFFFAOYSA-N
MW327.45 g/mol
LogP0.94
Rot. Bonds4

About 1-(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)-4-ethylsulfonylpiperazine

1-(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)-4-ethylsulfonylpiperazine (PubChem CID 164637130) has the molecular formula C14H25N5O2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)-4-ethylsulfonylpiperazine
PubChem CID164637130
Molecular FormulaC14H25N5O2S
Molecular Weight327.45 g/mol
Exact Mass327.17
IUPAC Name1-(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(c2nnc(C3CCCC3)n2C)CC1
InChIInChI=1S/C14H25N5O2S/c1-3-22(20,21)19-10-8-18(9-11-19)14-16-15-13(17(14)2)12-6-4-5-7-12/h12H,3-11H2,1-2H3
InChIKeyYPGBXSHXWJULJG-UHFFFAOYSA-N
XLogP0.94
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)-4-ethylsulfonylpiperazine?
The IUPAC name of 1-(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)-4-ethylsulfonylpiperazine (CID 164637130) is 1-(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)-4-ethylsulfonylpiperazine is CCS(=O)(=O)N1CCN(c2nnc(C3CCCC3)n2C)CC1.
What is the InChIKey of 1-(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)-4-ethylsulfonylpiperazine?
The InChIKey is YPGBXSHXWJULJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2S/c1-3-22(20,21)19-10-8-18(9-11-19)14-16-15-13(17(14)2)12-6-4-5-7-12/h12H,3-11H2,1-2H3.
What are the key properties of 1-(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)-4-ethylsulfonylpiperazine?
1-(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)-4-ethylsulfonylpiperazine has a molecular weight of 327.45 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)-4-ethylsulfonylpiperazine is sourced from PubChem (CID 164637130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).