2-(tert-butylamino)ethylsulfamic acid

C6H16N2O3S — CID 58003866

IUPAC2-(tert-butylamino)ethylsulfamic acid
SMILESCC(C)(C)NCCNS(=O)(=O)O
InChIInChI=1S/C6H16N2O3S/c1-6(2,3)7-4-5-8-12(9,10)11/h7-8H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyDUTDGJRLLPXBPZ-UHFFFAOYSA-N
MW196.27 g/mol
LogP-0.23
Rot. Bonds4

About 2-(tert-butylamino)ethylsulfamic acid

2-(tert-butylamino)ethylsulfamic acid (PubChem CID 58003866) has the molecular formula C6H16N2O3S and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-(tert-butylamino)ethylsulfamic acid.

Molecular Properties

Compound Name2-(tert-butylamino)ethylsulfamic acid
PubChem CID58003866
Molecular FormulaC6H16N2O3S
Molecular Weight196.27 g/mol
Exact Mass196.09
IUPAC Name2-(tert-butylamino)ethylsulfamic acid
SMILESCC(C)(C)NCCNS(=O)(=O)O
InChIInChI=1S/C6H16N2O3S/c1-6(2,3)7-4-5-8-12(9,10)11/h7-8H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyDUTDGJRLLPXBPZ-UHFFFAOYSA-N
XLogP-0.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)ethylsulfamic acid?
The IUPAC name of 2-(tert-butylamino)ethylsulfamic acid (CID 58003866) is 2-(tert-butylamino)ethylsulfamic acid.
What is the SMILES notation for 2-(tert-butylamino)ethylsulfamic acid?
The canonical SMILES for 2-(tert-butylamino)ethylsulfamic acid is CC(C)(C)NCCNS(=O)(=O)O.
What is the InChIKey of 2-(tert-butylamino)ethylsulfamic acid?
The InChIKey is DUTDGJRLLPXBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O3S/c1-6(2,3)7-4-5-8-12(9,10)11/h7-8H,4-5H2,1-3H3,(H,9,10,11).
What are the key properties of 2-(tert-butylamino)ethylsulfamic acid?
2-(tert-butylamino)ethylsulfamic acid has a molecular weight of 196.27 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)ethylsulfamic acid is sourced from PubChem (CID 58003866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).