1-(2-ethylbutyl)-3-[2-(ethylsulfonylamino)ethyl]-2-methylguanidine

C12H28N4O2S — CID 111890423

IUPAC1-(2-ethylbutyl)-3-[2-(ethylsulfonylamino)ethyl]-2-methylguanidine
SMILESCCC(CC)CN/C(=N\C)NCCNS(=O)(=O)CC
InChIInChI=1S/C12H28N4O2S/c1-5-11(6-2)10-15-12(13-4)14-8-9-16-19(17,18)7-3/h11,16H,5-10H2,1-4H3,(H2,13,14,15)
InChIKeyRRRCVPLRSJPWNB-UHFFFAOYSA-N
MW292.45 g/mol
LogP0.53
Rot. Bonds9

About 1-(2-ethylbutyl)-3-[2-(ethylsulfonylamino)ethyl]-2-methylguanidine

1-(2-ethylbutyl)-3-[2-(ethylsulfonylamino)ethyl]-2-methylguanidine (PubChem CID 111890423) has the molecular formula C12H28N4O2S and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-3-[2-(ethylsulfonylamino)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(2-ethylbutyl)-3-[2-(ethylsulfonylamino)ethyl]-2-methylguanidine
PubChem CID111890423
Molecular FormulaC12H28N4O2S
Molecular Weight292.45 g/mol
Exact Mass292.19
IUPAC Name1-(2-ethylbutyl)-3-[2-(ethylsulfonylamino)ethyl]-2-methylguanidine
SMILESCCC(CC)CN/C(=N\C)NCCNS(=O)(=O)CC
InChIInChI=1S/C12H28N4O2S/c1-5-11(6-2)10-15-12(13-4)14-8-9-16-19(17,18)7-3/h11,16H,5-10H2,1-4H3,(H2,13,14,15)
InChIKeyRRRCVPLRSJPWNB-UHFFFAOYSA-N
XLogP0.53
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-ethylbutyl)-3-[2-(ethylsulfonylamino)ethyl]-2-methylguanidine 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-[2-(ethylsulfonylamino)ethyl]-3-(2-methoxy-3,3-dimethylbutyl)-2-methylguanidine
CID 111709781
1-(2-ethylbutyl)-2-methyl-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
CID 111890689
1-[2-(benzenesulfonamido)ethyl]-3-(2-ethylbutyl)-2-methylguanidine;hydroiodide
CID 111891442
1-[2-[di(propan-2-yl)amino]ethyl]-3-[2-(ethylsulfonylamino)ethyl]-2-methylguanidine;hydroiodide
CID 111247268
1-butyl-3-(2-ethylbutyl)-2-methylguanidine;hydroiodide
CID 111778360
1-[2-(ethylsulfonylamino)ethyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine
CID 111627184
1-(2-ethylbutyl)-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111778685
1-[2-(ethylsulfonylamino)ethyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111401731
1-(2-ethoxyethyl)-3-(2-ethylbutyl)-2-methylguanidine
CID 111891019
methyl 3-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111890872
1-[2-(ethylsulfonylamino)ethyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111416367
3-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111891029

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-3-[2-(ethylsulfonylamino)ethyl]-2-methylguanidine?
The IUPAC name of 1-(2-ethylbutyl)-3-[2-(ethylsulfonylamino)ethyl]-2-methylguanidine (CID 111890423) is 1-(2-ethylbutyl)-3-[2-(ethylsulfonylamino)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-(2-ethylbutyl)-3-[2-(ethylsulfonylamino)ethyl]-2-methylguanidine?
The canonical SMILES for 1-(2-ethylbutyl)-3-[2-(ethylsulfonylamino)ethyl]-2-methylguanidine is CCC(CC)CN/C(=N\C)NCCNS(=O)(=O)CC.
What is the InChIKey of 1-(2-ethylbutyl)-3-[2-(ethylsulfonylamino)ethyl]-2-methylguanidine?
The InChIKey is RRRCVPLRSJPWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O2S/c1-5-11(6-2)10-15-12(13-4)14-8-9-16-19(17,18)7-3/h11,16H,5-10H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-(2-ethylbutyl)-3-[2-(ethylsulfonylamino)ethyl]-2-methylguanidine?
1-(2-ethylbutyl)-3-[2-(ethylsulfonylamino)ethyl]-2-methylguanidine has a molecular weight of 292.45 g/mol, XLogP of 0.53, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-3-[2-(ethylsulfonylamino)ethyl]-2-methylguanidine is sourced from PubChem (CID 111890423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).