potassium N-butylsulfamate

C4H10KNO3S — CID 23684469

IUPACpotassium N-butylsulfamate
SMILESCCCCNS(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H11NO3S.K/c1-2-3-4-5-9(6,7)8;/h5H,2-4H2,1H3,(H,6,7,8);/q;+1/p-1
InChIKeyOMEQRFZYJQECKK-UHFFFAOYSA-M
MW191.29 g/mol
LogP-3.16
Rot. Bonds4

About potassium N-butylsulfamate

potassium N-butylsulfamate (PubChem CID 23684469) has the molecular formula C4H10KNO3S and a molecular weight of 191.29 g/mol. Its IUPAC name is potassium N-butylsulfamate.

Molecular Properties

Compound Namepotassium N-butylsulfamate
PubChem CID23684469
Molecular FormulaC4H10KNO3S
Molecular Weight191.29 g/mol
Exact Mass191.00
IUPAC Namepotassium N-butylsulfamate
SMILESCCCCNS(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H11NO3S.K/c1-2-3-4-5-9(6,7)8;/h5H,2-4H2,1H3,(H,6,7,8);/q;+1/p-1
InChIKeyOMEQRFZYJQECKK-UHFFFAOYSA-M
XLogP-3.16
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-Dibutylsulphamide
CID 69809
N-butylsulfamide
CID 12355589
N,N''''-Dipropylsulfamide
CID 15729847
Butylsulfamic acid
CID 3628384
N-propylsulfamoyl chloride
CID 13398949
n-Propylsulfamide
CID 13949558
N,N'-Diethylsulfamide
CID 219236
n-Butylsulfamoyl chloride
CID 13544378
potassium (N-propylsulfamoyl)amide
CID 86276534
sodium N-amylsulfamate
CID 87069200
N-butylsulfamoyl fluoride
CID 54427937
N-(methylsulfamoyl)propan-1-amine
CID 22273146

Frequently Asked Questions

What is the IUPAC name of potassium N-butylsulfamate?
The IUPAC name of potassium N-butylsulfamate (CID 23684469) is potassium N-butylsulfamate.
What is the SMILES notation for potassium N-butylsulfamate?
The canonical SMILES for potassium N-butylsulfamate is CCCCNS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium N-butylsulfamate?
The InChIKey is OMEQRFZYJQECKK-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO3S.K/c1-2-3-4-5-9(6,7)8;/h5H,2-4H2,1H3,(H,6,7,8);/q;+1/p-1.
What are the key properties of potassium N-butylsulfamate?
potassium N-butylsulfamate has a molecular weight of 191.29 g/mol, XLogP of -3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-butylsulfamate is sourced from PubChem (CID 23684469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).