1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(4-methylcyclohexyl)guanidine

C14H30N4O2S — CID 111256337

IUPAC1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(4-methylcyclohexyl)guanidine
SMILESCCN/C(=N\CCNS(=O)(=O)CC)NC1CCC(C)CC1
InChIInChI=1S/C14H30N4O2S/c1-4-15-14(16-10-11-17-21(19,20)5-2)18-13-8-6-12(3)7-9-13/h12-13,17H,4-11H2,1-3H3,(H2,15,16,18)
InChIKeyCVIPIPTVNLTDHM-UHFFFAOYSA-N
MW318.49 g/mol
LogP1.06
Rot. Bonds7

About 1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(4-methylcyclohexyl)guanidine

1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(4-methylcyclohexyl)guanidine (PubChem CID 111256337) has the molecular formula C14H30N4O2S and a molecular weight of 318.49 g/mol. Its IUPAC name is 1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(4-methylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(4-methylcyclohexyl)guanidine
PubChem CID111256337
Molecular FormulaC14H30N4O2S
Molecular Weight318.49 g/mol
Exact Mass318.21
IUPAC Name1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(4-methylcyclohexyl)guanidine
SMILESCCN/C(=N\CCNS(=O)(=O)CC)NC1CCC(C)CC1
InChIInChI=1S/C14H30N4O2S/c1-4-15-14(16-10-11-17-21(19,20)5-2)18-13-8-6-12(3)7-9-13/h12-13,17H,4-11H2,1-3H3,(H2,15,16,18)
InChIKeyCVIPIPTVNLTDHM-UHFFFAOYSA-N
XLogP1.06
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 51.06
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'}

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Related Compounds

N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide
CID 111256916
2-(2-tert-butylsulfonylethyl)-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111829637
1-ethyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256328
methyl 3-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]propanoate
CID 111256875
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(4-methylcyclohexyl)guanidine
CID 111257033
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 110988228
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111257032
1-ethyl-3-(4-methylcyclohexyl)-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111256712
1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine
CID 111190416
1-ethyl-3-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111256896
1-ethyl-3-(4-methylcyclohexyl)-2-(2-pyrazol-1-ylethyl)guanidine
CID 111257175
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 110988783

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(4-methylcyclohexyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(4-methylcyclohexyl)guanidine (CID 111256337) is 1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(4-methylcyclohexyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(4-methylcyclohexyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(4-methylcyclohexyl)guanidine is CCN/C(=N\CCNS(=O)(=O)CC)NC1CCC(C)CC1.
What is the InChIKey of 1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(4-methylcyclohexyl)guanidine?
The InChIKey is CVIPIPTVNLTDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2S/c1-4-15-14(16-10-11-17-21(19,20)5-2)18-13-8-6-12(3)7-9-13/h12-13,17H,4-11H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(4-methylcyclohexyl)guanidine?
1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(4-methylcyclohexyl)guanidine has a molecular weight of 318.49 g/mol, XLogP of 1.06, 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-(ethylsulfonylamino)ethyl]-3-(4-methylcyclohexyl)guanidine is sourced from PubChem (CID 111256337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).