1-(2-tert-butylsulfanylethyl)piperazine

C10H22N2S — CID 58842925

IUPAC1-(2-tert-butylsulfanylethyl)piperazine
SMILESCC(C)(C)SCCN1CCNCC1
InChIInChI=1S/C10H22N2S/c1-10(2,3)13-9-8-12-6-4-11-5-7-12/h11H,4-9H2,1-3H3
InChIKeyKKJOIUCWOZQNJP-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.42
Rot. Bonds3

About 1-(2-tert-butylsulfanylethyl)piperazine

1-(2-tert-butylsulfanylethyl)piperazine (PubChem CID 58842925) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 1-(2-tert-butylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1-(2-tert-butylsulfanylethyl)piperazine
PubChem CID58842925
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name1-(2-tert-butylsulfanylethyl)piperazine
SMILESCC(C)(C)SCCN1CCNCC1
InChIInChI=1S/C10H22N2S/c1-10(2,3)13-9-8-12-6-4-11-5-7-12/h11H,4-9H2,1-3H3
InChIKeyKKJOIUCWOZQNJP-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine
CID 114271372
1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine
CID 54983611
1-(3-methylsulfanylpropyl)piperazine
CID 61057069
1-(4,4-dimethylpentyl)piperazine;ethane
CID 166478738
2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 23592356
1-(3-tert-butylsulfanylpropyl)piperidine
CID 161387575
1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane
CID 90692795
hydron;1-propylpiperazine;dibromide
CID 91980567
1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine
CID 10695223
N-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide
CID 167837979
1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine
CID 79677755
dimethyl(3-piperazin-1-ylpropylsulfanyl)sulfanium;hydrochloride
CID 172726907

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfanylethyl)piperazine?
The IUPAC name of 1-(2-tert-butylsulfanylethyl)piperazine (CID 58842925) is 1-(2-tert-butylsulfanylethyl)piperazine.
What is the SMILES notation for 1-(2-tert-butylsulfanylethyl)piperazine?
The canonical SMILES for 1-(2-tert-butylsulfanylethyl)piperazine is CC(C)(C)SCCN1CCNCC1.
What is the InChIKey of 1-(2-tert-butylsulfanylethyl)piperazine?
The InChIKey is KKJOIUCWOZQNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-10(2,3)13-9-8-12-6-4-11-5-7-12/h11H,4-9H2,1-3H3.
What are the key properties of 1-(2-tert-butylsulfanylethyl)piperazine?
1-(2-tert-butylsulfanylethyl)piperazine has a molecular weight of 202.37 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfanylethyl)piperazine is sourced from PubChem (CID 58842925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).