2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine

C15H26N4O2S — CID 75493953

IUPAC2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine
SMILESCc1ccc(C)c(S(=O)(=O)NCCN=C(N(C)C)N(C)C)c1
InChIInChI=1S/C15H26N4O2S/c1-12-7-8-13(2)14(11-12)22(20,21)17-10-9-16-15(18(3)4)19(5)6/h7-8,11,17H,9-10H2,1-6H3
InChIKeyWHMJURZIKJUZOS-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.06
Rot. Bonds5

About 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine

2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine (PubChem CID 75493953) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine
PubChem CID75493953
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine
SMILESCc1ccc(C)c(S(=O)(=O)NCCN=C(N(C)C)N(C)C)c1
InChIInChI=1S/C15H26N4O2S/c1-12-7-8-13(2)14(11-12)22(20,21)17-10-9-16-15(18(3)4)19(5)6/h7-8,11,17H,9-10H2,1-6H3
InChIKeyWHMJURZIKJUZOS-UHFFFAOYSA-N
XLogP1.06
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.06
H-Bond Donors ≤ 51
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 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine 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

N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
3-[(2,5-dimethylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 30482009
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 9189431
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965080
2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111043823
N-(4-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
CID 107271098
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide
CID 4790001
2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111043857
N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide
CID 43606579
N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide
CID 114008809

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine (CID 75493953) is 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine is Cc1ccc(C)c(S(=O)(=O)NCCN=C(N(C)C)N(C)C)c1.
What is the InChIKey of 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is WHMJURZIKJUZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-12-7-8-13(2)14(11-12)22(20,21)17-10-9-16-15(18(3)4)19(5)6/h7-8,11,17H,9-10H2,1-6H3.
What are the key properties of 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine?
2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 326.47 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 75493953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).