1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-ethylsulfinylcyclohexyl)guanidine

C20H40N4OS — CID 109438543

IUPAC1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-ethylsulfinylcyclohexyl)guanidine
SMILESCCN/C(=N\CCC1CCN(CC)CC1)NC1CCCC(S(=O)CC)C1
InChIInChI=1S/C20H40N4OS/c1-4-21-20(22-13-10-17-11-14-24(5-2)15-12-17)23-18-8-7-9-19(16-18)26(25)6-3/h17-19H,4-16H2,1-3H3,(H2,21,22,23)
InChIKeyOKFBAUFAEHNZBB-UHFFFAOYSA-N
MW384.63 g/mol
LogP2.74
Rot. Bonds8

About 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-ethylsulfinylcyclohexyl)guanidine

1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-ethylsulfinylcyclohexyl)guanidine (PubChem CID 109438543) has the molecular formula C20H40N4OS and a molecular weight of 384.63 g/mol. Its IUPAC name is 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-ethylsulfinylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-ethylsulfinylcyclohexyl)guanidine
PubChem CID109438543
Molecular FormulaC20H40N4OS
Molecular Weight384.63 g/mol
Exact Mass384.29
IUPAC Name1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-ethylsulfinylcyclohexyl)guanidine
SMILESCCN/C(=N\CCC1CCN(CC)CC1)NC1CCCC(S(=O)CC)C1
InChIInChI=1S/C20H40N4OS/c1-4-21-20(22-13-10-17-11-14-24(5-2)15-12-17)23-18-8-7-9-19(16-18)26(25)6-3/h17-19H,4-16H2,1-3H3,(H2,21,22,23)
InChIKeyOKFBAUFAEHNZBB-UHFFFAOYSA-N
XLogP2.74
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.63
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-ethylsulfinylcyclohexyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 109437230
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-(4-pyrrolidin-1-ylbutyl)guanidine
CID 109439917
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-(3-methylbutyl)guanidine
CID 109438691
N-ethyl-2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]acetamide
CID 109437985
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(3-ethylsulfinylcyclohexyl)guanidine
CID 109441423
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-ethyl-3-(3-ethylsulfinylcyclohexyl)guanidine
CID 109440999
N-ethyl-2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 109437984
N-[2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 109438003
1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)guanidine;hydroiodide
CID 109439318
1-ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)guanidine
CID 109439197
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[(4-methylcyclohexyl)methyl]guanidine
CID 109439383
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 109438081

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-ethylsulfinylcyclohexyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-ethylsulfinylcyclohexyl)guanidine (CID 109438543) is 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-ethylsulfinylcyclohexyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-ethylsulfinylcyclohexyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-ethylsulfinylcyclohexyl)guanidine is CCN/C(=N\CCC1CCN(CC)CC1)NC1CCCC(S(=O)CC)C1.
What is the InChIKey of 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-ethylsulfinylcyclohexyl)guanidine?
The InChIKey is OKFBAUFAEHNZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4OS/c1-4-21-20(22-13-10-17-11-14-24(5-2)15-12-17)23-18-8-7-9-19(16-18)26(25)6-3/h17-19H,4-16H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-ethylsulfinylcyclohexyl)guanidine?
1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-ethylsulfinylcyclohexyl)guanidine has a molecular weight of 384.63 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-ethylsulfinylcyclohexyl)guanidine is sourced from PubChem (CID 109438543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).