1-amino-2-[2-(methanesulfonamido)ethyl]guanidine

C4H13N5O2S — CID 64867513

IUPAC1-amino-2-[2-(methanesulfonamido)ethyl]guanidine
SMILESCS(=O)(=O)NCC/N=C(\N)NN
InChIInChI=1S/C4H13N5O2S/c1-12(10,11)8-3-2-7-4(5)9-6/h8H,2-3,6H2,1H3,(H3,5,7,9)
InChIKeyUMIZAWVXPWEQDK-UHFFFAOYSA-N
MW195.25 g/mol
LogP-2.69
Rot. Bonds4

About 1-amino-2-[2-(methanesulfonamido)ethyl]guanidine

1-amino-2-[2-(methanesulfonamido)ethyl]guanidine (PubChem CID 64867513) has the molecular formula C4H13N5O2S and a molecular weight of 195.25 g/mol. Its IUPAC name is 1-amino-2-[2-(methanesulfonamido)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[2-(methanesulfonamido)ethyl]guanidine
PubChem CID64867513
Molecular FormulaC4H13N5O2S
Molecular Weight195.25 g/mol
Exact Mass195.08
IUPAC Name1-amino-2-[2-(methanesulfonamido)ethyl]guanidine
SMILESCS(=O)(=O)NCC/N=C(\N)NN
InChIInChI=1S/C4H13N5O2S/c1-12(10,11)8-3-2-7-4(5)9-6/h8H,2-3,6H2,1H3,(H3,5,7,9)
InChIKeyUMIZAWVXPWEQDK-UHFFFAOYSA-N
XLogP-2.69
TPSA122.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 5-2.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine
CID 62364518
1-amino-2-[2-[[amino(hydrazinyl)methylidene]amino]ethyl]guanidine
CID 55279146
2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111044052
1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine
CID 104883881
1,1-diethyl-2-[3-(methanesulfonamido)propyl]guanidine
CID 111063670
1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine
CID 110967190
3-[[amino(hydrazinyl)methylidene]amino]propanoic acid
CID 10558754
N-(2-hydroxyethyl)methanesulfonamide
CID 11389425
N-(2-aminoethyl)methanesulfonamide
CID 158725113
1-amino-2-(3-aminopropyl)guanidine
CID 130567724
1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine
CID 131852318
N-(2-aminoethyl)methanesulfonamide;hydrochloride
CID 22609809

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(methanesulfonamido)ethyl]guanidine?
The IUPAC name of 1-amino-2-[2-(methanesulfonamido)ethyl]guanidine (CID 64867513) is 1-amino-2-[2-(methanesulfonamido)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-[2-(methanesulfonamido)ethyl]guanidine?
The canonical SMILES for 1-amino-2-[2-(methanesulfonamido)ethyl]guanidine is CS(=O)(=O)NCC/N=C(\N)NN.
What is the InChIKey of 1-amino-2-[2-(methanesulfonamido)ethyl]guanidine?
The InChIKey is UMIZAWVXPWEQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N5O2S/c1-12(10,11)8-3-2-7-4(5)9-6/h8H,2-3,6H2,1H3,(H3,5,7,9).
What are the key properties of 1-amino-2-[2-(methanesulfonamido)ethyl]guanidine?
1-amino-2-[2-(methanesulfonamido)ethyl]guanidine has a molecular weight of 195.25 g/mol, XLogP of -2.69, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(methanesulfonamido)ethyl]guanidine is sourced from PubChem (CID 64867513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).