(pentylamino)sulfamic acid

C5H14N2O3S — CID 88711733

IUPAC(pentylamino)sulfamic acid
SMILESCCCCCNNS(=O)(=O)O
InChIInChI=1S/C5H14N2O3S/c1-2-3-4-5-6-7-11(8,9)10/h6-7H,2-5H2,1H3,(H,8,9,10)
InChIKeyBHZPNOCZCSVFRA-UHFFFAOYSA-N
MW182.24 g/mol
LogP0.07
Rot. Bonds6

About (pentylamino)sulfamic acid

(pentylamino)sulfamic acid (PubChem CID 88711733) has the molecular formula C5H14N2O3S and a molecular weight of 182.24 g/mol. Its IUPAC name is (pentylamino)sulfamic acid.

Molecular Properties

Compound Name(pentylamino)sulfamic acid
PubChem CID88711733
Molecular FormulaC5H14N2O3S
Molecular Weight182.24 g/mol
Exact Mass182.07
IUPAC Name(pentylamino)sulfamic acid
SMILESCCCCCNNS(=O)(=O)O
InChIInChI=1S/C5H14N2O3S/c1-2-3-4-5-6-7-11(8,9)10/h6-7H,2-5H2,1H3,(H,8,9,10)
InChIKeyBHZPNOCZCSVFRA-UHFFFAOYSA-N
XLogP0.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (pentylamino)sulfamic acid?
The IUPAC name of (pentylamino)sulfamic acid (CID 88711733) is (pentylamino)sulfamic acid.
What is the SMILES notation for (pentylamino)sulfamic acid?
The canonical SMILES for (pentylamino)sulfamic acid is CCCCCNNS(=O)(=O)O.
What is the InChIKey of (pentylamino)sulfamic acid?
The InChIKey is BHZPNOCZCSVFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O3S/c1-2-3-4-5-6-7-11(8,9)10/h6-7H,2-5H2,1H3,(H,8,9,10).
What are the key properties of (pentylamino)sulfamic acid?
(pentylamino)sulfamic acid has a molecular weight of 182.24 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (pentylamino)sulfamic acid is sourced from PubChem (CID 88711733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).