1-(3-thiophen-2-ylsulfanylpropyl)piperazine

C11H18N2S2 — CID 68783975

IUPAC1-(3-thiophen-2-ylsulfanylpropyl)piperazine
SMILESc1csc(SCCCN2CCNCC2)c1
InChIInChI=1S/C11H18N2S2/c1-3-11(14-9-1)15-10-2-6-13-7-4-12-5-8-13/h1,3,9,12H,2,4-8,10H2
InChIKeyROFTZKZVGWJCKM-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.14
Rot. Bonds5

About 1-(3-thiophen-2-ylsulfanylpropyl)piperazine

1-(3-thiophen-2-ylsulfanylpropyl)piperazine (PubChem CID 68783975) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(3-thiophen-2-ylsulfanylpropyl)piperazine.

Molecular Properties

Compound Name1-(3-thiophen-2-ylsulfanylpropyl)piperazine
PubChem CID68783975
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name1-(3-thiophen-2-ylsulfanylpropyl)piperazine
SMILESc1csc(SCCCN2CCNCC2)c1
InChIInChI=1S/C11H18N2S2/c1-3-11(14-9-1)15-10-2-6-13-7-4-12-5-8-13/h1,3,9,12H,2,4-8,10H2
InChIKeyROFTZKZVGWJCKM-UHFFFAOYSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-piperazin-1-yl-3-thiophen-2-ylsulfanylpropan-1-one
CID 62544572
1-(3-thiophen-2-ylsulfanylpropyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 19372867
5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine
CID 163468710
N-(4-piperazin-1-ylbutyl)thiophen-2-amine
CID 115240320
1-(2-thiophen-2-ylsulfanylpropyl)piperazine
CID 117035710
1-(thiophen-2-ylmethyl)piperazine
CID 566208
1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine
CID 63311120
1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine
CID 117034526
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
1-[3-(2,5-dichlorophenyl)sulfanylpropyl]piperazine;dihydrochloride
CID 131880724
1-(3-methylsulfanylpropyl)piperazine
CID 61057069
1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine
CID 141181346

Frequently Asked Questions

What is the IUPAC name of 1-(3-thiophen-2-ylsulfanylpropyl)piperazine?
The IUPAC name of 1-(3-thiophen-2-ylsulfanylpropyl)piperazine (CID 68783975) is 1-(3-thiophen-2-ylsulfanylpropyl)piperazine.
What is the SMILES notation for 1-(3-thiophen-2-ylsulfanylpropyl)piperazine?
The canonical SMILES for 1-(3-thiophen-2-ylsulfanylpropyl)piperazine is c1csc(SCCCN2CCNCC2)c1.
What is the InChIKey of 1-(3-thiophen-2-ylsulfanylpropyl)piperazine?
The InChIKey is ROFTZKZVGWJCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-3-11(14-9-1)15-10-2-6-13-7-4-12-5-8-13/h1,3,9,12H,2,4-8,10H2.
What are the key properties of 1-(3-thiophen-2-ylsulfanylpropyl)piperazine?
1-(3-thiophen-2-ylsulfanylpropyl)piperazine has a molecular weight of 242.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-thiophen-2-ylsulfanylpropyl)piperazine is sourced from PubChem (CID 68783975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).