heptane-1,7-diol;sulfamic acid

C7H19NO5S — CID 174999895

IUPACheptane-1,7-diol;sulfamic acid
SMILESNS(=O)(=O)O.OCCCCCCCO
InChIInChI=1S/C7H16O2.H3NO3S/c8-6-4-2-1-3-5-7-9;1-5(2,3)4/h8-9H,1-7H2;(H3,1,2,3,4)
InChIKeyADFYPPLSTDFCTP-UHFFFAOYSA-N
MW229.30 g/mol
LogP-0.33
Rot. Bonds6

About heptane-1,7-diol;sulfamic acid

heptane-1,7-diol;sulfamic acid (PubChem CID 174999895) has the molecular formula C7H19NO5S and a molecular weight of 229.30 g/mol. Its IUPAC name is heptane-1,7-diol;sulfamic acid.

Molecular Properties

Compound Nameheptane-1,7-diol;sulfamic acid
PubChem CID174999895
Molecular FormulaC7H19NO5S
Molecular Weight229.30 g/mol
Exact Mass229.10
IUPAC Nameheptane-1,7-diol;sulfamic acid
SMILESNS(=O)(=O)O.OCCCCCCCO
InChIInChI=1S/C7H16O2.H3NO3S/c8-6-4-2-1-3-5-7-9;1-5(2,3)4/h8-9H,1-7H2;(H3,1,2,3,4)
InChIKeyADFYPPLSTDFCTP-UHFFFAOYSA-N
XLogP-0.33
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of heptane-1,7-diol;sulfamic acid?
The IUPAC name of heptane-1,7-diol;sulfamic acid (CID 174999895) is heptane-1,7-diol;sulfamic acid.
What is the SMILES notation for heptane-1,7-diol;sulfamic acid?
The canonical SMILES for heptane-1,7-diol;sulfamic acid is NS(=O)(=O)O.OCCCCCCCO.
What is the InChIKey of heptane-1,7-diol;sulfamic acid?
The InChIKey is ADFYPPLSTDFCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.H3NO3S/c8-6-4-2-1-3-5-7-9;1-5(2,3)4/h8-9H,1-7H2;(H3,1,2,3,4).
What are the key properties of heptane-1,7-diol;sulfamic acid?
heptane-1,7-diol;sulfamic acid has a molecular weight of 229.30 g/mol, XLogP of -0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptane-1,7-diol;sulfamic acid is sourced from PubChem (CID 174999895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).