2-(4-ethylsulfonylpiperazin-1-yl)pentan-1-amine

C11H25N3O2S — CID 63341361

IUPAC2-(4-ethylsulfonylpiperazin-1-yl)pentan-1-amine
SMILESCCCC(CN)N1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C11H25N3O2S/c1-3-5-11(10-12)13-6-8-14(9-7-13)17(15,16)4-2/h11H,3-10,12H2,1-2H3
InChIKeyQPZCGZRQCXVPEN-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.08
Rot. Bonds6

About 2-(4-ethylsulfonylpiperazin-1-yl)pentan-1-amine

2-(4-ethylsulfonylpiperazin-1-yl)pentan-1-amine (PubChem CID 63341361) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-(4-ethylsulfonylpiperazin-1-yl)pentan-1-amine.

Molecular Properties

Compound Name2-(4-ethylsulfonylpiperazin-1-yl)pentan-1-amine
PubChem CID63341361
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name2-(4-ethylsulfonylpiperazin-1-yl)pentan-1-amine
SMILESCCCC(CN)N1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C11H25N3O2S/c1-3-5-11(10-12)13-6-8-14(9-7-13)17(15,16)4-2/h11H,3-10,12H2,1-2H3
InChIKeyQPZCGZRQCXVPEN-UHFFFAOYSA-N
XLogP0.08
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylpiperazin-1-yl)pentan-1-amine?
The IUPAC name of 2-(4-ethylsulfonylpiperazin-1-yl)pentan-1-amine (CID 63341361) is 2-(4-ethylsulfonylpiperazin-1-yl)pentan-1-amine.
What is the SMILES notation for 2-(4-ethylsulfonylpiperazin-1-yl)pentan-1-amine?
The canonical SMILES for 2-(4-ethylsulfonylpiperazin-1-yl)pentan-1-amine is CCCC(CN)N1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of 2-(4-ethylsulfonylpiperazin-1-yl)pentan-1-amine?
The InChIKey is QPZCGZRQCXVPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-3-5-11(10-12)13-6-8-14(9-7-13)17(15,16)4-2/h11H,3-10,12H2,1-2H3.
What are the key properties of 2-(4-ethylsulfonylpiperazin-1-yl)pentan-1-amine?
2-(4-ethylsulfonylpiperazin-1-yl)pentan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylpiperazin-1-yl)pentan-1-amine is sourced from PubChem (CID 63341361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).