1-[3-[ethylsulfonyl(methyl)amino]propyl]-2,3-dimethylguanidine

C9H22N4O2S — CID 75462498

IUPAC1-[3-[ethylsulfonyl(methyl)amino]propyl]-2,3-dimethylguanidine
SMILESCCS(=O)(=O)N(C)CCCN/C(=N/C)NC
InChIInChI=1S/C9H22N4O2S/c1-5-16(14,15)13(4)8-6-7-12-9(10-2)11-3/h5-8H2,1-4H3,(H2,10,11,12)
InChIKeyLYEDETLFYXULNX-UHFFFAOYSA-N
MW250.37 g/mol
LogP-0.55
Rot. Bonds6

About 1-[3-[ethylsulfonyl(methyl)amino]propyl]-2,3-dimethylguanidine

1-[3-[ethylsulfonyl(methyl)amino]propyl]-2,3-dimethylguanidine (PubChem CID 75462498) has the molecular formula C9H22N4O2S and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-[3-[ethylsulfonyl(methyl)amino]propyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[3-[ethylsulfonyl(methyl)amino]propyl]-2,3-dimethylguanidine
PubChem CID75462498
Molecular FormulaC9H22N4O2S
Molecular Weight250.37 g/mol
Exact Mass250.15
IUPAC Name1-[3-[ethylsulfonyl(methyl)amino]propyl]-2,3-dimethylguanidine
SMILESCCS(=O)(=O)N(C)CCCN/C(=N/C)NC
InChIInChI=1S/C9H22N4O2S/c1-5-16(14,15)13(4)8-6-7-12-9(10-2)11-3/h5-8H2,1-4H3,(H2,10,11,12)
InChIKeyLYEDETLFYXULNX-UHFFFAOYSA-N
XLogP-0.55
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 5-0.55
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'}

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Related Compounds

1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-prop-2-enylguanidine
CID 110982045
1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111125976
1-(3-butoxypropyl)-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine
CID 111239183
1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111179934
1-cyclohexyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine
CID 110958537
1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111402015
1-cyclohexyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 110958536
1-benzyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 110954041
1-[3-(cyclopropylmethoxy)propyl]-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111392540
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]-2,3-dimethylguanidine?
The IUPAC name of 1-[3-[ethylsulfonyl(methyl)amino]propyl]-2,3-dimethylguanidine (CID 75462498) is 1-[3-[ethylsulfonyl(methyl)amino]propyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[3-[ethylsulfonyl(methyl)amino]propyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[3-[ethylsulfonyl(methyl)amino]propyl]-2,3-dimethylguanidine is CCS(=O)(=O)N(C)CCCN/C(=N/C)NC.
What is the InChIKey of 1-[3-[ethylsulfonyl(methyl)amino]propyl]-2,3-dimethylguanidine?
The InChIKey is LYEDETLFYXULNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O2S/c1-5-16(14,15)13(4)8-6-7-12-9(10-2)11-3/h5-8H2,1-4H3,(H2,10,11,12).
What are the key properties of 1-[3-[ethylsulfonyl(methyl)amino]propyl]-2,3-dimethylguanidine?
1-[3-[ethylsulfonyl(methyl)amino]propyl]-2,3-dimethylguanidine has a molecular weight of 250.37 g/mol, XLogP of -0.55, 6 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]-2,3-dimethylguanidine is sourced from PubChem (CID 75462498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).