1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine

C7H19N5O2S — CID 104883881

IUPAC1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine
SMILESCCC/N=C(\NN)NCCNS(C)(=O)=O
InChIInChI=1S/C7H19N5O2S/c1-3-4-9-7(12-8)10-5-6-11-15(2,13)14/h11H,3-6,8H2,1-2H3,(H2,9,10,12)
InChIKeyZVPRYGWFNSPQQM-UHFFFAOYSA-N
MW237.33 g/mol
LogP-1.65
Rot. Bonds6

About 1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine

1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine (PubChem CID 104883881) has the molecular formula C7H19N5O2S and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine
PubChem CID104883881
Molecular FormulaC7H19N5O2S
Molecular Weight237.33 g/mol
Exact Mass237.13
IUPAC Name1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine
SMILESCCC/N=C(\NN)NCCNS(C)(=O)=O
InChIInChI=1S/C7H19N5O2S/c1-3-4-9-7(12-8)10-5-6-11-15(2,13)14/h11H,3-6,8H2,1-2H3,(H2,9,10,12)
InChIKeyZVPRYGWFNSPQQM-UHFFFAOYSA-N
XLogP-1.65
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 5-1.65
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'}

Analyze 1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-3-(2-fluoroethyl)-2-propylguanidine
CID 130505160
1-amino-3-hexyl-2-propylguanidine
CID 104886641
1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine
CID 104882857
1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 110979354
1-amino-2,3-dibutylguanidine
CID 116511844
1-amino-2-[2-(methanesulfonamido)ethyl]guanidine
CID 64867513
1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide
CID 111204921
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide
CID 111385956
1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine
CID 110967190
1-amino-3-(3-ethoxypropyl)-2-(3-methylsulfonylpropyl)guanidine
CID 104884681
1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine
CID 104886332
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-(2-methylsulfanylethyl)guanidine
CID 111343741

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine?
The IUPAC name of 1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine (CID 104883881) is 1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine.
What is the SMILES notation for 1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine?
The canonical SMILES for 1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine is CCC/N=C(\NN)NCCNS(C)(=O)=O.
What is the InChIKey of 1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine?
The InChIKey is ZVPRYGWFNSPQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N5O2S/c1-3-4-9-7(12-8)10-5-6-11-15(2,13)14/h11H,3-6,8H2,1-2H3,(H2,9,10,12).
What are the key properties of 1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine?
1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine has a molecular weight of 237.33 g/mol, XLogP of -1.65, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine is sourced from PubChem (CID 104883881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).