N-[2-(tert-butylamino)ethyl]sulfamate

C6H15N2O3S- — CID 58003865

IUPACN-[2-(tert-butylamino)ethyl]sulfamate
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)/p-1
InChIKeyDUTDGJRLLPXBPZ-UHFFFAOYSA-M
MW195.26 g/mol
LogP-0.58
Rot. Bonds4

About N-[2-(tert-butylamino)ethyl]sulfamate

N-[2-(tert-butylamino)ethyl]sulfamate (PubChem CID 58003865) has the molecular formula C6H15N2O3S- and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[2-(tert-butylamino)ethyl]sulfamate.

Molecular Properties

Compound NameN-[2-(tert-butylamino)ethyl]sulfamate
PubChem CID58003865
Molecular FormulaC6H15N2O3S-
Molecular Weight195.26 g/mol
Exact Mass195.08
IUPAC NameN-[2-(tert-butylamino)ethyl]sulfamate
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)/p-1
InChIKeyDUTDGJRLLPXBPZ-UHFFFAOYSA-M
XLogP-0.58
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[2-(tert-butylamino)ethyl]sulfamate?
The IUPAC name of N-[2-(tert-butylamino)ethyl]sulfamate (CID 58003865) is N-[2-(tert-butylamino)ethyl]sulfamate.
What is the SMILES notation for N-[2-(tert-butylamino)ethyl]sulfamate?
The canonical SMILES for N-[2-(tert-butylamino)ethyl]sulfamate is CC(C)(C)NCCNS(=O)(=O)[O-].
What is the InChIKey of N-[2-(tert-butylamino)ethyl]sulfamate?
The InChIKey is DUTDGJRLLPXBPZ-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of N-[2-(tert-butylamino)ethyl]sulfamate?
N-[2-(tert-butylamino)ethyl]sulfamate has a molecular weight of 195.26 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)ethyl]sulfamate is sourced from PubChem (CID 58003865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).