1-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-ynylguanidine

C15H22N4O2S — CID 136921879

IUPAC1-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CCNS(=O)(=O)c1ccc(C)cc1)NCC
InChIInChI=1S/C15H22N4O2S/c1-4-10-17-15(16-5-2)18-11-12-19-22(20,21)14-8-6-13(3)7-9-14/h1,6-9,19H,5,10-12H2,2-3H3,(H2,16,17,18)
InChIKeyQQCPNPTYXFWHRA-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.46
Rot. Bonds7

About 1-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-ynylguanidine

1-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-ynylguanidine (PubChem CID 136921879) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-ynylguanidine
PubChem CID136921879
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name1-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CCNS(=O)(=O)c1ccc(C)cc1)NCC
InChIInChI=1S/C15H22N4O2S/c1-4-10-17-15(16-5-2)18-11-12-19-22(20,21)14-8-6-13(3)7-9-14/h1,6-9,19H,5,10-12H2,2-3H3,(H2,16,17,18)
InChIKeyQQCPNPTYXFWHRA-UHFFFAOYSA-N
XLogP0.46
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.46
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-ynylguanidine 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-ethyl-3-(2-methoxyethyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
CID 110939524
1-tert-butyl-3-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 110964568
2-butyl-1-ethyl-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
CID 111150634
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111361894
1-ethyl-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473154
2-[2-(benzenesulfonyl)ethyl]-1-ethyl-3-prop-2-ynylguanidine
CID 136921983
1-ethyl-2-[2-(4-methylsulfonylphenoxy)ethyl]-3-prop-2-ynylguanidine;hydroiodide
CID 136926826
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-prop-2-ynylguanidine
CID 136922175
4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide
CID 101498750
1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
CID 111043760
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
CID 111182474
2-[3-(benzenesulfonyl)propyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
CID 136921756

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-ynylguanidine?
The IUPAC name of 1-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-ynylguanidine (CID 136921879) is 1-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-ynylguanidine.
What is the SMILES notation for 1-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-ynylguanidine?
The canonical SMILES for 1-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-ynylguanidine is C#CCN/C(=N/CCNS(=O)(=O)c1ccc(C)cc1)NCC.
What is the InChIKey of 1-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-ynylguanidine?
The InChIKey is QQCPNPTYXFWHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-4-10-17-15(16-5-2)18-11-12-19-22(20,21)14-8-6-13(3)7-9-14/h1,6-9,19H,5,10-12H2,2-3H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-ynylguanidine?
1-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-ynylguanidine has a molecular weight of 322.43 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-ynylguanidine is sourced from PubChem (CID 136921879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).