1-(3-ethylsulfanylpropyl)-2,2-dimethylpiperazine

C11H24N2S — CID 115741512

IUPAC1-(3-ethylsulfanylpropyl)-2,2-dimethylpiperazine
SMILESCCSCCCN1CCNCC1(C)C
InChIInChI=1S/C11H24N2S/c1-4-14-9-5-7-13-8-6-12-10-11(13,2)3/h12H,4-10H2,1-3H3
InChIKeyZRSXBSNRVVCAGE-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.81
Rot. Bonds5

About 1-(3-ethylsulfanylpropyl)-2,2-dimethylpiperazine

1-(3-ethylsulfanylpropyl)-2,2-dimethylpiperazine (PubChem CID 115741512) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 1-(3-ethylsulfanylpropyl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-(3-ethylsulfanylpropyl)-2,2-dimethylpiperazine
PubChem CID115741512
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name1-(3-ethylsulfanylpropyl)-2,2-dimethylpiperazine
SMILESCCSCCCN1CCNCC1(C)C
InChIInChI=1S/C11H24N2S/c1-4-14-9-5-7-13-8-6-12-10-11(13,2)3/h12H,4-10H2,1-3H3
InChIKeyZRSXBSNRVVCAGE-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylpropyl)-2,2-dimethylpiperazine?
The IUPAC name of 1-(3-ethylsulfanylpropyl)-2,2-dimethylpiperazine (CID 115741512) is 1-(3-ethylsulfanylpropyl)-2,2-dimethylpiperazine.
What is the SMILES notation for 1-(3-ethylsulfanylpropyl)-2,2-dimethylpiperazine?
The canonical SMILES for 1-(3-ethylsulfanylpropyl)-2,2-dimethylpiperazine is CCSCCCN1CCNCC1(C)C.
What is the InChIKey of 1-(3-ethylsulfanylpropyl)-2,2-dimethylpiperazine?
The InChIKey is ZRSXBSNRVVCAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-4-14-9-5-7-13-8-6-12-10-11(13,2)3/h12H,4-10H2,1-3H3.
What are the key properties of 1-(3-ethylsulfanylpropyl)-2,2-dimethylpiperazine?
1-(3-ethylsulfanylpropyl)-2,2-dimethylpiperazine has a molecular weight of 216.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanylpropyl)-2,2-dimethylpiperazine is sourced from PubChem (CID 115741512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).