9-methyldecylsulfamic acid

C11H25NO3S — CID 24796785

IUPAC9-methyldecylsulfamic acid
SMILESCC(C)CCCCCCCCNS(=O)(=O)O
InChIInChI=1S/C11H25NO3S/c1-11(2)9-7-5-3-4-6-8-10-12-16(13,14)15/h11-12H,3-10H2,1-2H3,(H,13,14,15)
InChIKeyGAYAKNYWWOBJHZ-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.77
Rot. Bonds10

About 9-methyldecylsulfamic acid

9-methyldecylsulfamic acid (PubChem CID 24796785) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 9-methyldecylsulfamic acid.

Molecular Properties

Compound Name9-methyldecylsulfamic acid
PubChem CID24796785
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name9-methyldecylsulfamic acid
SMILESCC(C)CCCCCCCCNS(=O)(=O)O
InChIInChI=1S/C11H25NO3S/c1-11(2)9-7-5-3-4-6-8-10-12-16(13,14)15/h11-12H,3-10H2,1-2H3,(H,13,14,15)
InChIKeyGAYAKNYWWOBJHZ-UHFFFAOYSA-N
XLogP2.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 9-methyldecylsulfamic acid?
The IUPAC name of 9-methyldecylsulfamic acid (CID 24796785) is 9-methyldecylsulfamic acid.
What is the SMILES notation for 9-methyldecylsulfamic acid?
The canonical SMILES for 9-methyldecylsulfamic acid is CC(C)CCCCCCCCNS(=O)(=O)O.
What is the InChIKey of 9-methyldecylsulfamic acid?
The InChIKey is GAYAKNYWWOBJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-11(2)9-7-5-3-4-6-8-10-12-16(13,14)15/h11-12H,3-10H2,1-2H3,(H,13,14,15).
What are the key properties of 9-methyldecylsulfamic acid?
9-methyldecylsulfamic acid has a molecular weight of 251.39 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyldecylsulfamic acid is sourced from PubChem (CID 24796785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).