7,7-dimethyloctylsulfamic acid

C10H23NO3S — CID 87283491

IUPAC7,7-dimethyloctylsulfamic acid
SMILESCC(C)(C)CCCCCCNS(=O)(=O)O
InChIInChI=1S/C10H23NO3S/c1-10(2,3)8-6-4-5-7-9-11-15(12,13)14/h11H,4-9H2,1-3H3,(H,12,13,14)
InChIKeyIEUNTDYCKKBXND-UHFFFAOYSA-N
MW237.36 g/mol
LogP2.38
Rot. Bonds7

About 7,7-dimethyloctylsulfamic acid

7,7-dimethyloctylsulfamic acid (PubChem CID 87283491) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 7,7-dimethyloctylsulfamic acid.

Molecular Properties

Compound Name7,7-dimethyloctylsulfamic acid
PubChem CID87283491
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name7,7-dimethyloctylsulfamic acid
SMILESCC(C)(C)CCCCCCNS(=O)(=O)O
InChIInChI=1S/C10H23NO3S/c1-10(2,3)8-6-4-5-7-9-11-15(12,13)14/h11H,4-9H2,1-3H3,(H,12,13,14)
InChIKeyIEUNTDYCKKBXND-UHFFFAOYSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 52.38
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 7,7-dimethyloctylsulfamic acid?
The IUPAC name of 7,7-dimethyloctylsulfamic acid (CID 87283491) is 7,7-dimethyloctylsulfamic acid.
What is the SMILES notation for 7,7-dimethyloctylsulfamic acid?
The canonical SMILES for 7,7-dimethyloctylsulfamic acid is CC(C)(C)CCCCCCNS(=O)(=O)O.
What is the InChIKey of 7,7-dimethyloctylsulfamic acid?
The InChIKey is IEUNTDYCKKBXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-10(2,3)8-6-4-5-7-9-11-15(12,13)14/h11H,4-9H2,1-3H3,(H,12,13,14).
What are the key properties of 7,7-dimethyloctylsulfamic acid?
7,7-dimethyloctylsulfamic acid has a molecular weight of 237.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyloctylsulfamic acid is sourced from PubChem (CID 87283491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).