azanium N-propan-2-ylsulfamate

C3H12N2O3S — CID 86615404

IUPACazanium N-propan-2-ylsulfamate
SMILESCC(C)NS(=O)(=O)[O-].[NH4+]
InChIInChI=1S/C3H9NO3S.H3N/c1-3(2)4-8(5,6)7;/h3-4H,1-2H3,(H,5,6,7);1H3
InChIKeyCGRPVDOVEWQWQJ-UHFFFAOYSA-N
MW156.21 g/mol
LogP-0.18
Rot. Bonds2

About azanium N-propan-2-ylsulfamate

azanium N-propan-2-ylsulfamate (PubChem CID 86615404) has the molecular formula C3H12N2O3S and a molecular weight of 156.21 g/mol. Its IUPAC name is azanium N-propan-2-ylsulfamate.

Molecular Properties

Compound Nameazanium N-propan-2-ylsulfamate
PubChem CID86615404
Molecular FormulaC3H12N2O3S
Molecular Weight156.21 g/mol
Exact Mass156.06
IUPAC Nameazanium N-propan-2-ylsulfamate
SMILESCC(C)NS(=O)(=O)[O-].[NH4+]
InChIInChI=1S/C3H9NO3S.H3N/c1-3(2)4-8(5,6)7;/h3-4H,1-2H3,(H,5,6,7);1H3
InChIKeyCGRPVDOVEWQWQJ-UHFFFAOYSA-N
XLogP-0.18
TPSA105.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 azanium N-propan-2-ylsulfamate?
The IUPAC name of azanium N-propan-2-ylsulfamate (CID 86615404) is azanium N-propan-2-ylsulfamate.
What is the SMILES notation for azanium N-propan-2-ylsulfamate?
The canonical SMILES for azanium N-propan-2-ylsulfamate is CC(C)NS(=O)(=O)[O-].[NH4+].
What is the InChIKey of azanium N-propan-2-ylsulfamate?
The InChIKey is CGRPVDOVEWQWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3S.H3N/c1-3(2)4-8(5,6)7;/h3-4H,1-2H3,(H,5,6,7);1H3.
What are the key properties of azanium N-propan-2-ylsulfamate?
azanium N-propan-2-ylsulfamate has a molecular weight of 156.21 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium N-propan-2-ylsulfamate is sourced from PubChem (CID 86615404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).