1-[2-(hexyldisulfanyl)-2-methylpropyl]piperazine

C14H30N2S2 — CID 118569824

IUPAC1-[2-(hexyldisulfanyl)-2-methylpropyl]piperazine
SMILESCCCCCCSSC(C)(C)CN1CCNCC1
InChIInChI=1S/C14H30N2S2/c1-4-5-6-7-12-17-18-14(2,3)13-16-10-8-15-9-11-16/h15H,4-13H2,1-3H3
InChIKeyCMFOMHVFOUGBTQ-UHFFFAOYSA-N
MW290.54 g/mol
LogP3.63
Rot. Bonds9

About 1-[2-(hexyldisulfanyl)-2-methylpropyl]piperazine

1-[2-(hexyldisulfanyl)-2-methylpropyl]piperazine (PubChem CID 118569824) has the molecular formula C14H30N2S2 and a molecular weight of 290.54 g/mol. Its IUPAC name is 1-[2-(hexyldisulfanyl)-2-methylpropyl]piperazine.

Molecular Properties

Compound Name1-[2-(hexyldisulfanyl)-2-methylpropyl]piperazine
PubChem CID118569824
Molecular FormulaC14H30N2S2
Molecular Weight290.54 g/mol
Exact Mass290.19
IUPAC Name1-[2-(hexyldisulfanyl)-2-methylpropyl]piperazine
SMILESCCCCCCSSC(C)(C)CN1CCNCC1
InChIInChI=1S/C14H30N2S2/c1-4-5-6-7-12-17-18-14(2,3)13-16-10-8-15-9-11-16/h15H,4-13H2,1-3H3
InChIKeyCMFOMHVFOUGBTQ-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.54
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-methyl-2-(octyldisulfanyl)propyl]-4-propan-2-ylpiperazine
CID 144974162
1-[2-methyl-2-(pentyldisulfanyl)propyl]-4-propan-2-ylpiperazine
CID 144842889
1-tricosylpiperazine
CID 130183651
1-(2,2-dimethylpentyl)piperazine
CID 83530331
ethane;1-octylpiperazine
CID 144711845
1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine
CID 10695223
diazanium;1-docosylpiperazine;dibromide
CID 157305429
1-ethylpiperazine;pentan-1-ol
CID 175276657
1-piperazin-1-ylbutane-2,2-diamine
CID 57309719
zinc;1-hexadecyl-1,4,7,10-tetrazacyclododecane;hydroxide;perchlorate
CID 11071941
1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine
CID 117035698
N,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide
CID 115189056

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hexyldisulfanyl)-2-methylpropyl]piperazine?
The IUPAC name of 1-[2-(hexyldisulfanyl)-2-methylpropyl]piperazine (CID 118569824) is 1-[2-(hexyldisulfanyl)-2-methylpropyl]piperazine.
What is the SMILES notation for 1-[2-(hexyldisulfanyl)-2-methylpropyl]piperazine?
The canonical SMILES for 1-[2-(hexyldisulfanyl)-2-methylpropyl]piperazine is CCCCCCSSC(C)(C)CN1CCNCC1.
What is the InChIKey of 1-[2-(hexyldisulfanyl)-2-methylpropyl]piperazine?
The InChIKey is CMFOMHVFOUGBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S2/c1-4-5-6-7-12-17-18-14(2,3)13-16-10-8-15-9-11-16/h15H,4-13H2,1-3H3.
What are the key properties of 1-[2-(hexyldisulfanyl)-2-methylpropyl]piperazine?
1-[2-(hexyldisulfanyl)-2-methylpropyl]piperazine has a molecular weight of 290.54 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hexyldisulfanyl)-2-methylpropyl]piperazine is sourced from PubChem (CID 118569824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).