2-methylnonan-2-ylsulfamic acid

C10H23NO3S — CID 87283518

IUPAC2-methylnonan-2-ylsulfamic acid
SMILESCCCCCCCC(C)(C)NS(=O)(=O)O
InChIInChI=1S/C10H23NO3S/c1-4-5-6-7-8-9-10(2,3)11-15(12,13)14/h11H,4-9H2,1-3H3,(H,12,13,14)
InChIKeyRGCAFTYMTUXMRG-UHFFFAOYSA-N
MW237.36 g/mol
LogP2.52
Rot. Bonds8

About 2-methylnonan-2-ylsulfamic acid

2-methylnonan-2-ylsulfamic acid (PubChem CID 87283518) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 2-methylnonan-2-ylsulfamic acid.

Molecular Properties

Compound Name2-methylnonan-2-ylsulfamic acid
PubChem CID87283518
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name2-methylnonan-2-ylsulfamic acid
SMILESCCCCCCCC(C)(C)NS(=O)(=O)O
InChIInChI=1S/C10H23NO3S/c1-4-5-6-7-8-9-10(2,3)11-15(12,13)14/h11H,4-9H2,1-3H3,(H,12,13,14)
InChIKeyRGCAFTYMTUXMRG-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 52.52
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 2-methylnonan-2-ylsulfamic acid?
The IUPAC name of 2-methylnonan-2-ylsulfamic acid (CID 87283518) is 2-methylnonan-2-ylsulfamic acid.
What is the SMILES notation for 2-methylnonan-2-ylsulfamic acid?
The canonical SMILES for 2-methylnonan-2-ylsulfamic acid is CCCCCCCC(C)(C)NS(=O)(=O)O.
What is the InChIKey of 2-methylnonan-2-ylsulfamic acid?
The InChIKey is RGCAFTYMTUXMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-4-5-6-7-8-9-10(2,3)11-15(12,13)14/h11H,4-9H2,1-3H3,(H,12,13,14).
What are the key properties of 2-methylnonan-2-ylsulfamic acid?
2-methylnonan-2-ylsulfamic acid has a molecular weight of 237.36 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnonan-2-ylsulfamic acid is sourced from PubChem (CID 87283518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).