6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine

C11H25N3O2S — CID 67176093

IUPAC6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine
SMILESCN1CCN(S(=O)(=O)CCCCCCN)CC1
InChIInChI=1S/C11H25N3O2S/c1-13-7-9-14(10-8-13)17(15,16)11-5-3-2-4-6-12/h2-12H2,1H3
InChIKeyJMUOLRZDGXLHLE-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.08
Rot. Bonds7

About 6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine

6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine (PubChem CID 67176093) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine
PubChem CID67176093
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine
SMILESCN1CCN(S(=O)(=O)CCCCCCN)CC1
InChIInChI=1S/C11H25N3O2S/c1-13-7-9-14(10-8-13)17(15,16)11-5-3-2-4-6-12/h2-12H2,1H3
InChIKeyJMUOLRZDGXLHLE-UHFFFAOYSA-N
XLogP0.08
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine
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N-[hydroxy-[5-(4-methylpiperazin-1-yl)sulfonylpentyl]amino]-N-pentylhydroxylamine
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4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine (CID 67176093) is 6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine is CN1CCN(S(=O)(=O)CCCCCCN)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine?
The InChIKey is JMUOLRZDGXLHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-13-7-9-14(10-8-13)17(15,16)11-5-3-2-4-6-12/h2-12H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine?
6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine is sourced from PubChem (CID 67176093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).