potassium N-tert-butylsulfamate

C4H10KNO3S — CID 87696471

IUPACpotassium N-tert-butylsulfamate
SMILESCC(C)(C)NS(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H11NO3S.K/c1-4(2,3)5-9(6,7)8;/h5H,1-3H3,(H,6,7,8);/q;+1/p-1
InChIKeyBHJKYTNAUXCGON-UHFFFAOYSA-M
MW191.29 g/mol
LogP-3.16
Rot. Bonds1

About potassium N-tert-butylsulfamate

potassium N-tert-butylsulfamate (PubChem CID 87696471) has the molecular formula C4H10KNO3S and a molecular weight of 191.29 g/mol. Its IUPAC name is potassium N-tert-butylsulfamate.

Molecular Properties

Compound Namepotassium N-tert-butylsulfamate
PubChem CID87696471
Molecular FormulaC4H10KNO3S
Molecular Weight191.29 g/mol
Exact Mass191.00
IUPAC Namepotassium N-tert-butylsulfamate
SMILESCC(C)(C)NS(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H11NO3S.K/c1-4(2,3)5-9(6,7)8;/h5H,1-3H3,(H,6,7,8);/q;+1/p-1
InChIKeyBHJKYTNAUXCGON-UHFFFAOYSA-M
XLogP-3.16
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 5-3.16
H-Bond Donors ≤ 51
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 potassium N-tert-butylsulfamate?
The IUPAC name of potassium N-tert-butylsulfamate (CID 87696471) is potassium N-tert-butylsulfamate.
What is the SMILES notation for potassium N-tert-butylsulfamate?
The canonical SMILES for potassium N-tert-butylsulfamate is CC(C)(C)NS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium N-tert-butylsulfamate?
The InChIKey is BHJKYTNAUXCGON-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO3S.K/c1-4(2,3)5-9(6,7)8;/h5H,1-3H3,(H,6,7,8);/q;+1/p-1.
What are the key properties of potassium N-tert-butylsulfamate?
potassium N-tert-butylsulfamate has a molecular weight of 191.29 g/mol, XLogP of -3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-tert-butylsulfamate is sourced from PubChem (CID 87696471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).