amino N-ethylsulfamate

C2H8N2O3S — CID 141419939

IUPACamino N-ethylsulfamate
SMILESCCNS(=O)(=O)ON
InChIInChI=1S/C2H8N2O3S/c1-2-4-8(5,6)7-3/h4H,2-3H2,1H3
InChIKeyGJCNSUOVYQDNSI-UHFFFAOYSA-N
MW140.16 g/mol
LogP-1.27
Rot. Bonds3

About amino N-ethylsulfamate

amino N-ethylsulfamate (PubChem CID 141419939) has the molecular formula C2H8N2O3S and a molecular weight of 140.16 g/mol. Its IUPAC name is amino N-ethylsulfamate.

Molecular Properties

Compound Nameamino N-ethylsulfamate
PubChem CID141419939
Molecular FormulaC2H8N2O3S
Molecular Weight140.16 g/mol
Exact Mass140.03
IUPAC Nameamino N-ethylsulfamate
SMILESCCNS(=O)(=O)ON
InChIInChI=1S/C2H8N2O3S/c1-2-4-8(5,6)7-3/h4H,2-3H2,1H3
InChIKeyGJCNSUOVYQDNSI-UHFFFAOYSA-N
XLogP-1.27
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sodium;ethyl N-ethylsulfamate;hydride
CID 174521414
ethylsulfamoyl N-tert-butylcarbamate
CID 174832303
O-ethylhydroxylamine;methanesulfonic acid
CID 172739815
ethylsulfamic acid;methane
CID 161279958
N-(ethoxysulfamoyl)ethanamine
CID 114807184
N-ethylpropane-1-sulfonamide;hydrochloride
CID 22017686
N-(N,S-dimethylsulfonimidoyl)ethanamine
CID 139358066
N-ethylethynesulfonamide
CID 170149101
(ethylsulfamoylamino)methanol
CID 117126069
N-ethyl-1,1-difluoromethanesulfonamide
CID 43258972
2-[2-(ethylsulfamoylamino)ethoxy]ethanamine
CID 114812763
N-ethylazepane-1-sulfonamide
CID 43213421

Frequently Asked Questions

What is the IUPAC name of amino N-ethylsulfamate?
The IUPAC name of amino N-ethylsulfamate (CID 141419939) is amino N-ethylsulfamate.
What is the SMILES notation for amino N-ethylsulfamate?
The canonical SMILES for amino N-ethylsulfamate is CCNS(=O)(=O)ON.
What is the InChIKey of amino N-ethylsulfamate?
The InChIKey is GJCNSUOVYQDNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2O3S/c1-2-4-8(5,6)7-3/h4H,2-3H2,1H3.
What are the key properties of amino N-ethylsulfamate?
amino N-ethylsulfamate has a molecular weight of 140.16 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-ethylsulfamate is sourced from PubChem (CID 141419939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).