1-(2-methyl-1-propylsulfanylpropan-2-yl)piperazine

C11H24N2S — CID 117035745

IUPAC1-(2-methyl-1-propylsulfanylpropan-2-yl)piperazine
SMILESCCCSCC(C)(C)N1CCNCC1
InChIInChI=1S/C11H24N2S/c1-4-9-14-10-11(2,3)13-7-5-12-6-8-13/h12H,4-10H2,1-3H3
InChIKeyGVFIRZMITLIKBL-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.81
Rot. Bonds5

About 1-(2-methyl-1-propylsulfanylpropan-2-yl)piperazine

1-(2-methyl-1-propylsulfanylpropan-2-yl)piperazine (PubChem CID 117035745) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 1-(2-methyl-1-propylsulfanylpropan-2-yl)piperazine.

Molecular Properties

Compound Name1-(2-methyl-1-propylsulfanylpropan-2-yl)piperazine
PubChem CID117035745
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name1-(2-methyl-1-propylsulfanylpropan-2-yl)piperazine
SMILESCCCSCC(C)(C)N1CCNCC1
InChIInChI=1S/C11H24N2S/c1-4-9-14-10-11(2,3)13-7-5-12-6-8-13/h12H,4-10H2,1-3H3
InChIKeyGVFIRZMITLIKBL-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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Related Compounds

1-(2-methylhexan-2-yl)-1,4-diazepane
CID 155280442
1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine
CID 117035736
2,4-dimethyl-4-piperazin-1-ylpentan-2-amine
CID 154551256
N,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine
CID 116914005
N-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine
CID 80551253
1-(2,6-dimethylheptan-2-yl)piperazine
CID 116931981
3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine
CID 115255592
N-(3-methyl-3-piperazin-1-ylbutyl)cyclobutanamine
CID 115255555
1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine
CID 116829848
1-tert-butylpiperazine;ethane;methane
CID 161367706
1-piperazin-1-ylethane-1,1-dithiol
CID 54504790
2-piperazin-1-ylpropan-2-amine
CID 54235590

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-propylsulfanylpropan-2-yl)piperazine?
The IUPAC name of 1-(2-methyl-1-propylsulfanylpropan-2-yl)piperazine (CID 117035745) is 1-(2-methyl-1-propylsulfanylpropan-2-yl)piperazine.
What is the SMILES notation for 1-(2-methyl-1-propylsulfanylpropan-2-yl)piperazine?
The canonical SMILES for 1-(2-methyl-1-propylsulfanylpropan-2-yl)piperazine is CCCSCC(C)(C)N1CCNCC1.
What is the InChIKey of 1-(2-methyl-1-propylsulfanylpropan-2-yl)piperazine?
The InChIKey is GVFIRZMITLIKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-4-9-14-10-11(2,3)13-7-5-12-6-8-13/h12H,4-10H2,1-3H3.
What are the key properties of 1-(2-methyl-1-propylsulfanylpropan-2-yl)piperazine?
1-(2-methyl-1-propylsulfanylpropan-2-yl)piperazine 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-(2-methyl-1-propylsulfanylpropan-2-yl)piperazine is sourced from PubChem (CID 117035745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).