1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine

C13H27N3O3S — CID 111190416

IUPAC1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CCS(=O)(=O)CC)NC1CCC(O)CC1
InChIInChI=1S/C13H27N3O3S/c1-3-14-13(15-9-10-20(18,19)4-2)16-11-5-7-12(17)8-6-11/h11-12,17H,3-10H2,1-2H3,(H2,14,15,16)
InChIKeyGBIZXFAZAYULGN-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.28
Rot. Bonds6

About 1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine

1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine (PubChem CID 111190416) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine
PubChem CID111190416
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CCS(=O)(=O)CC)NC1CCC(O)CC1
InChIInChI=1S/C13H27N3O3S/c1-3-14-13(15-9-10-20(18,19)4-2)16-11-5-7-12(17)8-6-11/h11-12,17H,3-10H2,1-2H3,(H2,14,15,16)
InChIKeyGBIZXFAZAYULGN-UHFFFAOYSA-N
XLogP0.28
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-(2-ethylsulfonylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318278
1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190892
1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine
CID 111190548
3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111190417
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-ethylsulfonylethyl)guanidine
CID 111919567
2-(3-butoxypropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111189864
1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
CID 111759533
2-(2-tert-butylsulfonylethyl)-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111829637
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(methanesulfonamido)-2-methylpropyl]guanidine;hydroiodide
CID 111978899
1-ethyl-2-(2-ethylsulfonylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111915409
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(oxolan-2-yl)ethyl]guanidine
CID 111190166
1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine
CID 111190692

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine (CID 111190416) is 1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine is CCN/C(=N\CCS(=O)(=O)CC)NC1CCC(O)CC1.
What is the InChIKey of 1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine?
The InChIKey is GBIZXFAZAYULGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-3-14-13(15-9-10-20(18,19)4-2)16-11-5-7-12(17)8-6-11/h11-12,17H,3-10H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine?
1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine has a molecular weight of 305.44 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine is sourced from PubChem (CID 111190416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).