8-(4-methylpiperazin-1-yl)octyl thiohypoiodite

C13H27IN2S — CID 144712086

IUPAC8-(4-methylpiperazin-1-yl)octyl thiohypoiodite
SMILESCN1CCN(CCCCCCCCSI)CC1
InChIInChI=1S/C13H27IN2S/c1-15-9-11-16(12-10-15)8-6-4-2-3-5-7-13-17-14/h2-13H2,1H3
InChIKeyAWHGERNIEHFUOY-UHFFFAOYSA-N
MW370.34 g/mol
LogP3.66
Rot. Bonds9

About 8-(4-methylpiperazin-1-yl)octyl thiohypoiodite

8-(4-methylpiperazin-1-yl)octyl thiohypoiodite (PubChem CID 144712086) has the molecular formula C13H27IN2S and a molecular weight of 370.34 g/mol. Its IUPAC name is 8-(4-methylpiperazin-1-yl)octyl thiohypoiodite.

Molecular Properties

Compound Name8-(4-methylpiperazin-1-yl)octyl thiohypoiodite
PubChem CID144712086
Molecular FormulaC13H27IN2S
Molecular Weight370.34 g/mol
Exact Mass370.09
IUPAC Name8-(4-methylpiperazin-1-yl)octyl thiohypoiodite
SMILESCN1CCN(CCCCCCCCSI)CC1
InChIInChI=1S/C13H27IN2S/c1-15-9-11-16(12-10-15)8-6-4-2-3-5-7-13-17-14/h2-13H2,1H3
InChIKeyAWHGERNIEHFUOY-UHFFFAOYSA-N
XLogP3.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(4-methylpiperazin-1-yl)heptane-1-thiol
CID 144712055
1-(9-bromononyl)-4-methylpiperazine
CID 105343553
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
acetylene;1-methyl-4-octylpiperazine
CID 144712197
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
ethane;1-methyl-4-pentylpiperazine
CID 145099418
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
CID 174573387
1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride
CID 18413139
ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 165116575
6-(4-methylpiperazin-1-yl)hexanal
CID 19781527

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpiperazin-1-yl)octyl thiohypoiodite?
The IUPAC name of 8-(4-methylpiperazin-1-yl)octyl thiohypoiodite (CID 144712086) is 8-(4-methylpiperazin-1-yl)octyl thiohypoiodite.
What is the SMILES notation for 8-(4-methylpiperazin-1-yl)octyl thiohypoiodite?
The canonical SMILES for 8-(4-methylpiperazin-1-yl)octyl thiohypoiodite is CN1CCN(CCCCCCCCSI)CC1.
What is the InChIKey of 8-(4-methylpiperazin-1-yl)octyl thiohypoiodite?
The InChIKey is AWHGERNIEHFUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27IN2S/c1-15-9-11-16(12-10-15)8-6-4-2-3-5-7-13-17-14/h2-13H2,1H3.
What are the key properties of 8-(4-methylpiperazin-1-yl)octyl thiohypoiodite?
8-(4-methylpiperazin-1-yl)octyl thiohypoiodite has a molecular weight of 370.34 g/mol, XLogP of 3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpiperazin-1-yl)octyl thiohypoiodite is sourced from PubChem (CID 144712086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).