2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine

C10H18N4O2S2 — CID 111044052

IUPAC2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
SMILESCS(=O)(=O)NCC/N=C(\N)NCCc1cccs1
InChIInChI=1S/C10H18N4O2S2/c1-18(15,16)14-7-6-13-10(11)12-5-4-9-3-2-8-17-9/h2-3,8,14H,4-7H2,1H3,(H3,11,12,13)
InChIKeyKBVWMQNYYLGPJY-UHFFFAOYSA-N
MW290.41 g/mol
LogP-0.26
Rot. Bonds7

About 2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine

2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111044052) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
PubChem CID111044052
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
SMILESCS(=O)(=O)NCC/N=C(\N)NCCc1cccs1
InChIInChI=1S/C10H18N4O2S2/c1-18(15,16)14-7-6-13-10(11)12-5-4-9-3-2-8-17-9/h2-3,8,14H,4-7H2,1H3,(H3,11,12,13)
InChIKeyKBVWMQNYYLGPJY-UHFFFAOYSA-N
XLogP-0.26
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine 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

2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111023170
2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111022609
2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111024901
2-[7-(dimethylamino)heptyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111084900
methyl 3-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111063902
2-[4-(diethylamino)butyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111059984
N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752382
2-[4-(4-methylpiperazin-1-yl)butyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111060171
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111091206
2-[(4-methylsulfanylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111079364
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111096493
2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111804650

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine (CID 111044052) is 2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine is CS(=O)(=O)NCC/N=C(\N)NCCc1cccs1.
What is the InChIKey of 2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is KBVWMQNYYLGPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c1-18(15,16)14-7-6-13-10(11)12-5-4-9-3-2-8-17-9/h2-3,8,14H,4-7H2,1H3,(H3,11,12,13).
What are the key properties of 2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine?
2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 290.41 g/mol, XLogP of -0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111044052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).