propan-2-yloxycarbonylsulfamic acid

C4H9NO5S — CID 19775655

IUPACpropan-2-yloxycarbonylsulfamic acid
SMILESCC(C)OC(=O)NS(=O)(=O)O
InChIInChI=1S/C4H9NO5S/c1-3(2)10-4(6)5-11(7,8)9/h3H,1-2H3,(H,5,6)(H,7,8,9)
InChIKeyVLIDWNYJFHXBMA-UHFFFAOYSA-N
MW183.18 g/mol
LogP-0.08
Rot. Bonds2

About propan-2-yloxycarbonylsulfamic acid

propan-2-yloxycarbonylsulfamic acid (PubChem CID 19775655) has the molecular formula C4H9NO5S and a molecular weight of 183.18 g/mol. Its IUPAC name is propan-2-yloxycarbonylsulfamic acid.

Molecular Properties

Compound Namepropan-2-yloxycarbonylsulfamic acid
PubChem CID19775655
Molecular FormulaC4H9NO5S
Molecular Weight183.18 g/mol
Exact Mass183.02
IUPAC Namepropan-2-yloxycarbonylsulfamic acid
SMILESCC(C)OC(=O)NS(=O)(=O)O
InChIInChI=1S/C4H9NO5S/c1-3(2)10-4(6)5-11(7,8)9/h3H,1-2H3,(H,5,6)(H,7,8,9)
InChIKeyVLIDWNYJFHXBMA-UHFFFAOYSA-N
XLogP-0.08
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 propan-2-yloxycarbonylsulfamic acid?
The IUPAC name of propan-2-yloxycarbonylsulfamic acid (CID 19775655) is propan-2-yloxycarbonylsulfamic acid.
What is the SMILES notation for propan-2-yloxycarbonylsulfamic acid?
The canonical SMILES for propan-2-yloxycarbonylsulfamic acid is CC(C)OC(=O)NS(=O)(=O)O.
What is the InChIKey of propan-2-yloxycarbonylsulfamic acid?
The InChIKey is VLIDWNYJFHXBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO5S/c1-3(2)10-4(6)5-11(7,8)9/h3H,1-2H3,(H,5,6)(H,7,8,9).
What are the key properties of propan-2-yloxycarbonylsulfamic acid?
propan-2-yloxycarbonylsulfamic acid has a molecular weight of 183.18 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxycarbonylsulfamic acid is sourced from PubChem (CID 19775655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).