dipropylsulfamic acid

C6H15NO3S — CID 18943127

IUPACdipropylsulfamic acid
SMILESCCCN(CCC)S(=O)(=O)O
InChIInChI=1S/C6H15NO3S/c1-3-5-7(6-4-2)11(8,9)10/h3-6H2,1-2H3,(H,8,9,10)
InChIKeyXRVWREPFYXZOPK-UHFFFAOYSA-N
MW181.26 g/mol
LogP0.91
Rot. Bonds5

About dipropylsulfamic acid

dipropylsulfamic acid (PubChem CID 18943127) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is dipropylsulfamic acid.

Molecular Properties

Compound Namedipropylsulfamic acid
PubChem CID18943127
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC Namedipropylsulfamic acid
SMILESCCCN(CCC)S(=O)(=O)O
InChIInChI=1S/C6H15NO3S/c1-3-5-7(6-4-2)11(8,9)10/h3-6H2,1-2H3,(H,8,9,10)
InChIKeyXRVWREPFYXZOPK-UHFFFAOYSA-N
XLogP0.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipropylsulfamic acid?
The IUPAC name of dipropylsulfamic acid (CID 18943127) is dipropylsulfamic acid.
What is the SMILES notation for dipropylsulfamic acid?
The canonical SMILES for dipropylsulfamic acid is CCCN(CCC)S(=O)(=O)O.
What is the InChIKey of dipropylsulfamic acid?
The InChIKey is XRVWREPFYXZOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-3-5-7(6-4-2)11(8,9)10/h3-6H2,1-2H3,(H,8,9,10).
What are the key properties of dipropylsulfamic acid?
dipropylsulfamic acid has a molecular weight of 181.26 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipropylsulfamic acid is sourced from PubChem (CID 18943127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).