1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine

C17H36N4O2S — CID 111947635

IUPAC1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine
SMILESCCN/C(=N\CCCNS(=O)(=O)CC)NCCCC1CCCCC1
InChIInChI=1S/C17H36N4O2S/c1-3-18-17(20-14-9-15-21-24(22,23)4-2)19-13-8-12-16-10-6-5-7-11-16/h16,21H,3-15H2,1-2H3,(H2,18,19,20)
InChIKeyYFBKWKDLMGRGEA-UHFFFAOYSA-N
MW360.57 g/mol
LogP2.23
Rot. Bonds11

About 1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine

1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine (PubChem CID 111947635) has the molecular formula C17H36N4O2S and a molecular weight of 360.57 g/mol. Its IUPAC name is 1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine.

Molecular Properties

Compound Name1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine
PubChem CID111947635
Molecular FormulaC17H36N4O2S
Molecular Weight360.57 g/mol
Exact Mass360.26
IUPAC Name1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine
SMILESCCN/C(=N\CCCNS(=O)(=O)CC)NCCCC1CCCCC1
InChIInChI=1S/C17H36N4O2S/c1-3-18-17(20-14-9-15-21-24(22,23)4-2)19-13-8-12-16-10-6-5-7-11-16/h16,21H,3-15H2,1-2H3,(H2,18,19,20)
InChIKeyYFBKWKDLMGRGEA-UHFFFAOYSA-N
XLogP2.23
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 52.23
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

2-(3-cyclohexylpropyl)-1-ethyl-3-(2-ethylsulfonylethyl)guanidine
CID 111947469
N-[2-[[N-ethyl-N'-[3-(ethylsulfonylamino)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111928140
2-(4-cyclopentylbutyl)-1,3-diethylguanidine
CID 111465882
1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111417055
4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111947391
2-(cyclopropylmethyl)-1-ethyl-3-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide
CID 111869847
N-[2-[[N'-(3-cyclohexylpropyl)-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111928512
4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111946619
1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943528
2-(3-cyclohexylpropyl)-1-ethyl-3-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111671465
1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]guanidine;hydroiodide
CID 111947584
1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine
CID 111127023

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine?
The IUPAC name of 1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine (CID 111947635) is 1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine.
What is the SMILES notation for 1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine?
The canonical SMILES for 1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine is CCN/C(=N\CCCNS(=O)(=O)CC)NCCCC1CCCCC1.
What is the InChIKey of 1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine?
The InChIKey is YFBKWKDLMGRGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O2S/c1-3-18-17(20-14-9-15-21-24(22,23)4-2)19-13-8-12-16-10-6-5-7-11-16/h16,21H,3-15H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine?
1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine has a molecular weight of 360.57 g/mol, XLogP of 2.23, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine is sourced from PubChem (CID 111947635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).