2-ethylsulfonylguanidine

C3H9N3O2S — CID 46256414

IUPAC2-ethylsulfonylguanidine
SMILESCCS(=O)(=O)N=C(N)N
InChIInChI=1S/C3H9N3O2S/c1-2-9(7,8)6-3(4)5/h2H2,1H3,(H4,4,5,6)
InChIKeyJKQCWVUNXMSXMT-UHFFFAOYSA-N
MW151.19 g/mol
LogP-1.39
Rot. Bonds2

About 2-ethylsulfonylguanidine

2-ethylsulfonylguanidine (PubChem CID 46256414) has the molecular formula C3H9N3O2S and a molecular weight of 151.19 g/mol. Its IUPAC name is 2-ethylsulfonylguanidine.

Molecular Properties

Compound Name2-ethylsulfonylguanidine
PubChem CID46256414
Molecular FormulaC3H9N3O2S
Molecular Weight151.19 g/mol
Exact Mass151.04
IUPAC Name2-ethylsulfonylguanidine
SMILESCCS(=O)(=O)N=C(N)N
InChIInChI=1S/C3H9N3O2S/c1-2-9(7,8)6-3(4)5/h2H2,1H3,(H4,4,5,6)
InChIKeyJKQCWVUNXMSXMT-UHFFFAOYSA-N
XLogP-1.39
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Guanidino ethane sulfonate
CID 56606868
2-Butylsulfonylguanidine
CID 129801686
Guanidinium 1-propanesulfonate
CID 177256519
Ethanesulfonic acid;guanidine
CID 21459708
2-Ethylsulfinylsulfinylguanidine
CID 54154071
N-carbamimidoylpropane-2-sulfonamide
CID 57589885
2-Pentylsulfonylguanidine
CID 87966228
N-cyanoethanesulfonamide
CID 88172655
N-(aminomethyl)ethanesulfonamide
CID 123304076
methyl N'-ethylsulfonylcarbamimidothioate
CID 154042455
2-Pentan-2-ylsulfonylguanidine
CID 163517914

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonylguanidine?
The IUPAC name of 2-ethylsulfonylguanidine (CID 46256414) is 2-ethylsulfonylguanidine.
What is the SMILES notation for 2-ethylsulfonylguanidine?
The canonical SMILES for 2-ethylsulfonylguanidine is CCS(=O)(=O)N=C(N)N.
What is the InChIKey of 2-ethylsulfonylguanidine?
The InChIKey is JKQCWVUNXMSXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O2S/c1-2-9(7,8)6-3(4)5/h2H2,1H3,(H4,4,5,6).
What are the key properties of 2-ethylsulfonylguanidine?
2-ethylsulfonylguanidine has a molecular weight of 151.19 g/mol, XLogP of -1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonylguanidine is sourced from PubChem (CID 46256414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).