3-(4-cyclopentylpiperazin-1-yl)sulfonylpropan-1-amine

C12H25N3O2S — CID 62368792

IUPAC3-(4-cyclopentylpiperazin-1-yl)sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C12H25N3O2S/c13-6-3-11-18(16,17)15-9-7-14(8-10-15)12-4-1-2-5-12/h12H,1-11,13H2
InChIKeyZFXAFPIPPUKDME-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.23
Rot. Bonds5

About 3-(4-cyclopentylpiperazin-1-yl)sulfonylpropan-1-amine

3-(4-cyclopentylpiperazin-1-yl)sulfonylpropan-1-amine (PubChem CID 62368792) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-(4-cyclopentylpiperazin-1-yl)sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-(4-cyclopentylpiperazin-1-yl)sulfonylpropan-1-amine
PubChem CID62368792
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name3-(4-cyclopentylpiperazin-1-yl)sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C12H25N3O2S/c13-6-3-11-18(16,17)15-9-7-14(8-10-15)12-4-1-2-5-12/h12H,1-11,13H2
InChIKeyZFXAFPIPPUKDME-UHFFFAOYSA-N
XLogP0.23
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentylpiperazin-1-yl)sulfonylpropan-1-amine?
The IUPAC name of 3-(4-cyclopentylpiperazin-1-yl)sulfonylpropan-1-amine (CID 62368792) is 3-(4-cyclopentylpiperazin-1-yl)sulfonylpropan-1-amine.
What is the SMILES notation for 3-(4-cyclopentylpiperazin-1-yl)sulfonylpropan-1-amine?
The canonical SMILES for 3-(4-cyclopentylpiperazin-1-yl)sulfonylpropan-1-amine is NCCCS(=O)(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 3-(4-cyclopentylpiperazin-1-yl)sulfonylpropan-1-amine?
The InChIKey is ZFXAFPIPPUKDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c13-6-3-11-18(16,17)15-9-7-14(8-10-15)12-4-1-2-5-12/h12H,1-11,13H2.
What are the key properties of 3-(4-cyclopentylpiperazin-1-yl)sulfonylpropan-1-amine?
3-(4-cyclopentylpiperazin-1-yl)sulfonylpropan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentylpiperazin-1-yl)sulfonylpropan-1-amine is sourced from PubChem (CID 62368792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).