8-methylnonylsulfamic acid

C10H23NO3S — CID 24796787

IUPAC8-methylnonylsulfamic acid
SMILESCC(C)CCCCCCCNS(=O)(=O)O
InChIInChI=1S/C10H23NO3S/c1-10(2)8-6-4-3-5-7-9-11-15(12,13)14/h10-11H,3-9H2,1-2H3,(H,12,13,14)
InChIKeyCKFWXMQZVRQAGT-UHFFFAOYSA-N
MW237.36 g/mol
LogP2.38
Rot. Bonds9

About 8-methylnonylsulfamic acid

8-methylnonylsulfamic acid (PubChem CID 24796787) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 8-methylnonylsulfamic acid.

Molecular Properties

Compound Name8-methylnonylsulfamic acid
PubChem CID24796787
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name8-methylnonylsulfamic acid
SMILESCC(C)CCCCCCCNS(=O)(=O)O
InChIInChI=1S/C10H23NO3S/c1-10(2)8-6-4-3-5-7-9-11-15(12,13)14/h10-11H,3-9H2,1-2H3,(H,12,13,14)
InChIKeyCKFWXMQZVRQAGT-UHFFFAOYSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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 8-methylnonylsulfamic acid?
The IUPAC name of 8-methylnonylsulfamic acid (CID 24796787) is 8-methylnonylsulfamic acid.
What is the SMILES notation for 8-methylnonylsulfamic acid?
The canonical SMILES for 8-methylnonylsulfamic acid is CC(C)CCCCCCCNS(=O)(=O)O.
What is the InChIKey of 8-methylnonylsulfamic acid?
The InChIKey is CKFWXMQZVRQAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-10(2)8-6-4-3-5-7-9-11-15(12,13)14/h10-11H,3-9H2,1-2H3,(H,12,13,14).
What are the key properties of 8-methylnonylsulfamic acid?
8-methylnonylsulfamic acid has a molecular weight of 237.36 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnonylsulfamic acid is sourced from PubChem (CID 24796787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).