1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-prop-2-enylguanidine

C11H24N4O2S — CID 110982045

IUPAC1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCCCN(C)S(=O)(=O)CC
InChIInChI=1S/C11H24N4O2S/c1-5-8-13-11(12-3)14-9-7-10-15(4)18(16,17)6-2/h5H,1,6-10H2,2-4H3,(H2,12,13,14)
InChIKeyQFEVQNCVILOHGY-UHFFFAOYSA-N
MW276.41 g/mol
LogP0.01
Rot. Bonds8

About 1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-prop-2-enylguanidine

1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-prop-2-enylguanidine (PubChem CID 110982045) has the molecular formula C11H24N4O2S and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-prop-2-enylguanidine
PubChem CID110982045
Molecular FormulaC11H24N4O2S
Molecular Weight276.41 g/mol
Exact Mass276.16
IUPAC Name1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCCCN(C)S(=O)(=O)CC
InChIInChI=1S/C11H24N4O2S/c1-5-8-13-11(12-3)14-9-7-10-15(4)18(16,17)6-2/h5H,1,6-10H2,2-4H3,(H2,12,13,14)
InChIKeyQFEVQNCVILOHGY-UHFFFAOYSA-N
XLogP0.01
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 50.01
H-Bond Donors ≤ 52
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[3-[ethylsulfonyl(methyl)amino]propyl]-2,3-dimethylguanidine
CID 75462498
1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111179934
1-(3-butoxypropyl)-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine
CID 111239183
1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111125976
1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111402015
1-benzyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 110954041
1-cyclohexyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine
CID 110958537
1-[3-(cyclopropylmethoxy)propyl]-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111392540
1-cyclohexyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 110958536
1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111360407
1-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111182997
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 109429612

Frequently Asked Questions

What is the IUPAC name of 1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-prop-2-enylguanidine?
The IUPAC name of 1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-prop-2-enylguanidine (CID 110982045) is 1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-prop-2-enylguanidine.
What is the SMILES notation for 1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-prop-2-enylguanidine?
The canonical SMILES for 1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-prop-2-enylguanidine is C=CCN/C(=N\C)NCCCN(C)S(=O)(=O)CC.
What is the InChIKey of 1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-prop-2-enylguanidine?
The InChIKey is QFEVQNCVILOHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2S/c1-5-8-13-11(12-3)14-9-7-10-15(4)18(16,17)6-2/h5H,1,6-10H2,2-4H3,(H2,12,13,14).
What are the key properties of 1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-prop-2-enylguanidine?
1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-prop-2-enylguanidine has a molecular weight of 276.41 g/mol, XLogP of 0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-prop-2-enylguanidine is sourced from PubChem (CID 110982045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).