6-aminohexyl(butyl)sulfamic acid

C10H24N2O3S — CID 88834066

IUPAC6-aminohexyl(butyl)sulfamic acid
SMILESCCCCN(CCCCCCN)S(=O)(=O)O
InChIInChI=1S/C10H24N2O3S/c1-2-3-9-12(16(13,14)15)10-7-5-4-6-8-11/h2-11H2,1H3,(H,13,14,15)
InChIKeyXBHFQXLGGBMQES-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.41
Rot. Bonds10

About 6-aminohexyl(butyl)sulfamic acid

6-aminohexyl(butyl)sulfamic acid (PubChem CID 88834066) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is 6-aminohexyl(butyl)sulfamic acid.

Molecular Properties

Compound Name6-aminohexyl(butyl)sulfamic acid
PubChem CID88834066
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC Name6-aminohexyl(butyl)sulfamic acid
SMILESCCCCN(CCCCCCN)S(=O)(=O)O
InChIInChI=1S/C10H24N2O3S/c1-2-3-9-12(16(13,14)15)10-7-5-4-6-8-11/h2-11H2,1H3,(H,13,14,15)
InChIKeyXBHFQXLGGBMQES-UHFFFAOYSA-N
XLogP1.41
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-aminohexyl(butyl)sulfamic acid?
The IUPAC name of 6-aminohexyl(butyl)sulfamic acid (CID 88834066) is 6-aminohexyl(butyl)sulfamic acid.
What is the SMILES notation for 6-aminohexyl(butyl)sulfamic acid?
The canonical SMILES for 6-aminohexyl(butyl)sulfamic acid is CCCCN(CCCCCCN)S(=O)(=O)O.
What is the InChIKey of 6-aminohexyl(butyl)sulfamic acid?
The InChIKey is XBHFQXLGGBMQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-2-3-9-12(16(13,14)15)10-7-5-4-6-8-11/h2-11H2,1H3,(H,13,14,15).
What are the key properties of 6-aminohexyl(butyl)sulfamic acid?
6-aminohexyl(butyl)sulfamic acid has a molecular weight of 252.38 g/mol, XLogP of 1.41, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexyl(butyl)sulfamic acid is sourced from PubChem (CID 88834066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).