1-(3-methylsulfanylbutyl)-4-(1-methylsulfanylethyl)piperazine

C12H26N2S2 — CID 138467065

IUPAC1-(3-methylsulfanylbutyl)-4-(1-methylsulfanylethyl)piperazine
SMILESCSC(C)CCN1CCN(C(C)SC)CC1
InChIInChI=1S/C12H26N2S2/c1-11(15-3)5-6-13-7-9-14(10-8-13)12(2)16-4/h11-12H,5-10H2,1-4H3
InChIKeyZFIWEXRUADYEEH-UHFFFAOYSA-N
MW262.49 g/mol
LogP2.45
Rot. Bonds6

About 1-(3-methylsulfanylbutyl)-4-(1-methylsulfanylethyl)piperazine

1-(3-methylsulfanylbutyl)-4-(1-methylsulfanylethyl)piperazine (PubChem CID 138467065) has the molecular formula C12H26N2S2 and a molecular weight of 262.49 g/mol. Its IUPAC name is 1-(3-methylsulfanylbutyl)-4-(1-methylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1-(3-methylsulfanylbutyl)-4-(1-methylsulfanylethyl)piperazine
PubChem CID138467065
Molecular FormulaC12H26N2S2
Molecular Weight262.49 g/mol
Exact Mass262.15
IUPAC Name1-(3-methylsulfanylbutyl)-4-(1-methylsulfanylethyl)piperazine
SMILESCSC(C)CCN1CCN(C(C)SC)CC1
InChIInChI=1S/C12H26N2S2/c1-11(15-3)5-6-13-7-9-14(10-8-13)12(2)16-4/h11-12H,5-10H2,1-4H3
InChIKeyZFIWEXRUADYEEH-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.49
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylbutyl)-4-(1-methylsulfanylethyl)piperazine?
The IUPAC name of 1-(3-methylsulfanylbutyl)-4-(1-methylsulfanylethyl)piperazine (CID 138467065) is 1-(3-methylsulfanylbutyl)-4-(1-methylsulfanylethyl)piperazine.
What is the SMILES notation for 1-(3-methylsulfanylbutyl)-4-(1-methylsulfanylethyl)piperazine?
The canonical SMILES for 1-(3-methylsulfanylbutyl)-4-(1-methylsulfanylethyl)piperazine is CSC(C)CCN1CCN(C(C)SC)CC1.
What is the InChIKey of 1-(3-methylsulfanylbutyl)-4-(1-methylsulfanylethyl)piperazine?
The InChIKey is ZFIWEXRUADYEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S2/c1-11(15-3)5-6-13-7-9-14(10-8-13)12(2)16-4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(3-methylsulfanylbutyl)-4-(1-methylsulfanylethyl)piperazine?
1-(3-methylsulfanylbutyl)-4-(1-methylsulfanylethyl)piperazine has a molecular weight of 262.49 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylbutyl)-4-(1-methylsulfanylethyl)piperazine is sourced from PubChem (CID 138467065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).