1-hexyl-4-methylsulfonylpiperazine

C11H24N2O2S — CID 91481078

IUPAC1-hexyl-4-methylsulfonylpiperazine
SMILESCCCCCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-3-4-5-6-7-12-8-10-13(11-9-12)16(2,14)15/h3-11H2,1-2H3
InChIKeyMFOWRNMOJBXGBB-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.14
Rot. Bonds6

About 1-hexyl-4-methylsulfonylpiperazine

1-hexyl-4-methylsulfonylpiperazine (PubChem CID 91481078) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-hexyl-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-hexyl-4-methylsulfonylpiperazine
PubChem CID91481078
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-hexyl-4-methylsulfonylpiperazine
SMILESCCCCCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-3-4-5-6-7-12-8-10-13(11-9-12)16(2,14)15/h3-11H2,1-2H3
InChIKeyMFOWRNMOJBXGBB-UHFFFAOYSA-N
XLogP1.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-pentyl-4-pentylsulfonylpiperazine
CID 86969430
methanesulfonic acid;1-nonylpyrrolidine
CID 175874971
methanesulfonic acid;1-undecylpyrrolidine
CID 175583381
1-decylpiperidine;methanesulfonic acid
CID 175874627
1-ethyl-4-heptylpiperazine
CID 21399221
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
1-ethyl-4-undecylpiperazine
CID 21399231
2-(4-methylsulfonylpiperazin-1-yl)ethanol
CID 2762426
1-methylsulfonyl-4-pentadecan-8-ylpiperazine
CID 139365186
2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid
CID 65254899

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-methylsulfonylpiperazine?
The IUPAC name of 1-hexyl-4-methylsulfonylpiperazine (CID 91481078) is 1-hexyl-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-hexyl-4-methylsulfonylpiperazine?
The canonical SMILES for 1-hexyl-4-methylsulfonylpiperazine is CCCCCCN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-hexyl-4-methylsulfonylpiperazine?
The InChIKey is MFOWRNMOJBXGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-4-5-6-7-12-8-10-13(11-9-12)16(2,14)15/h3-11H2,1-2H3.
What are the key properties of 1-hexyl-4-methylsulfonylpiperazine?
1-hexyl-4-methylsulfonylpiperazine has a molecular weight of 248.39 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-methylsulfonylpiperazine is sourced from PubChem (CID 91481078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).