1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine

C14H30N4O2S — CID 110959303

IUPAC1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine
SMILESCCN(CCCN/C(=N\C)NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C14H30N4O2S/c1-4-18(21(3,19)20)12-8-11-16-14(15-2)17-13-9-6-5-7-10-13/h13H,4-12H2,1-3H3,(H2,15,16,17)
InChIKeyGTRASSXIWFKUSA-UHFFFAOYSA-N
MW318.49 g/mol
LogP1.16
Rot. Bonds7

About 1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine

1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine (PubChem CID 110959303) has the molecular formula C14H30N4O2S and a molecular weight of 318.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine
PubChem CID110959303
Molecular FormulaC14H30N4O2S
Molecular Weight318.49 g/mol
Exact Mass318.21
IUPAC Name1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine
SMILESCCN(CCCN/C(=N\C)NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C14H30N4O2S/c1-4-18(21(3,19)20)12-8-11-16-14(15-2)17-13-9-6-5-7-10-13/h13H,4-12H2,1-3H3,(H2,15,16,17)
InChIKeyGTRASSXIWFKUSA-UHFFFAOYSA-N
XLogP1.16
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 51.16
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-cyclohexyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine
CID 110958537
1-cyclohexyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 110958536
1-cyclohexyl-2-methyl-3-(3-methylsulfonylpropyl)guanidine
CID 110958583
1-(cyclopropylmethyl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111869129
N-[3-(cycloheptylamino)propyl]-N-ethylmethanesulfonamide
CID 54903530
1-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111415817
1-cyclopentyl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide
CID 110990818
1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine
CID 110991153
1-(3-butoxypropyl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111240414
1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110942737
1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405113
1-(2-tert-butylsulfonylethyl)-3-cyclohexyl-2-methylguanidine
CID 111573769

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine?
The IUPAC name of 1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine (CID 110959303) is 1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine?
The canonical SMILES for 1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine is CCN(CCCN/C(=N\C)NC1CCCCC1)S(C)(=O)=O.
What is the InChIKey of 1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine?
The InChIKey is GTRASSXIWFKUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2S/c1-4-18(21(3,19)20)12-8-11-16-14(15-2)17-13-9-6-5-7-10-13/h13H,4-12H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine?
1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine has a molecular weight of 318.49 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine is sourced from PubChem (CID 110959303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).