azane;tert-butylsulfamic acid

C4H14N2O3S — CID 173138890

IUPACazane;tert-butylsulfamic acid
SMILESCC(C)(C)NS(=O)(=O)O.N
InChIInChI=1S/C4H11NO3S.H3N/c1-4(2,3)5-9(6,7)8;/h5H,1-3H3,(H,6,7,8);1H3
InChIKeyMWCIBOWINYOLNS-UHFFFAOYSA-N
MW170.23 g/mol
LogP0.34
Rot. Bonds1

About azane;tert-butylsulfamic acid

azane;tert-butylsulfamic acid (PubChem CID 173138890) has the molecular formula C4H14N2O3S and a molecular weight of 170.23 g/mol. Its IUPAC name is azane;tert-butylsulfamic acid.

Molecular Properties

Compound Nameazane;tert-butylsulfamic acid
PubChem CID173138890
Molecular FormulaC4H14N2O3S
Molecular Weight170.23 g/mol
Exact Mass170.07
IUPAC Nameazane;tert-butylsulfamic acid
SMILESCC(C)(C)NS(=O)(=O)O.N
InChIInChI=1S/C4H11NO3S.H3N/c1-4(2,3)5-9(6,7)8;/h5H,1-3H3,(H,6,7,8);1H3
InChIKeyMWCIBOWINYOLNS-UHFFFAOYSA-N
XLogP0.34
TPSA101.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 50.34
H-Bond Donors ≤ 53
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 azane;tert-butylsulfamic acid?
The IUPAC name of azane;tert-butylsulfamic acid (CID 173138890) is azane;tert-butylsulfamic acid.
What is the SMILES notation for azane;tert-butylsulfamic acid?
The canonical SMILES for azane;tert-butylsulfamic acid is CC(C)(C)NS(=O)(=O)O.N.
What is the InChIKey of azane;tert-butylsulfamic acid?
The InChIKey is MWCIBOWINYOLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S.H3N/c1-4(2,3)5-9(6,7)8;/h5H,1-3H3,(H,6,7,8);1H3.
What are the key properties of azane;tert-butylsulfamic acid?
azane;tert-butylsulfamic acid has a molecular weight of 170.23 g/mol, XLogP of 0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tert-butylsulfamic acid is sourced from PubChem (CID 173138890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).