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

C19H38N4OS — CID 109439197

IUPAC1-ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)guanidine
SMILESCCN/C(=N\CC1CCCCN1CC)NC1CCCC(S(=O)CC)C1
InChIInChI=1S/C19H38N4OS/c1-4-20-19(21-15-17-11-7-8-13-23(17)5-2)22-16-10-9-12-18(14-16)25(24)6-3/h16-18H,4-15H2,1-3H3,(H2,20,21,22)
InChIKeyUVCBVBILMXNZJX-UHFFFAOYSA-N
MW370.61 g/mol
LogP2.50
Rot. Bonds7

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

1-ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)guanidine (PubChem CID 109439197) has the molecular formula C19H38N4OS and a molecular weight of 370.61 g/mol. Its IUPAC name is 1-ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)guanidine
PubChem CID109439197
Molecular FormulaC19H38N4OS
Molecular Weight370.61 g/mol
Exact Mass370.28
IUPAC Name1-ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)guanidine
SMILESCCN/C(=N\CC1CCCCN1CC)NC1CCCC(S(=O)CC)C1
InChIInChI=1S/C19H38N4OS/c1-4-20-19(21-15-17-11-7-8-13-23(17)5-2)22-16-10-9-12-18(14-16)25(24)6-3/h16-18H,4-15H2,1-3H3,(H2,20,21,22)
InChIKeyUVCBVBILMXNZJX-UHFFFAOYSA-N
XLogP2.50
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 52.50
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'}

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Related Compounds

1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)guanidine;hydroiodide
CID 109439318
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[[1-(2-methylpropyl)piperidin-2-yl]methyl]guanidine;hydroiodide
CID 109437800
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109437671
1-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)urea
CID 71976524
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 109438738
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[(4-methylcyclohexyl)methyl]guanidine
CID 109439383
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 109437230
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
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 109439382
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-(4-pyrrolidin-1-ylbutyl)guanidine
CID 109439917
N-ethyl-2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 109437984

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)guanidine?
The IUPAC name of 1-ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)guanidine (CID 109439197) is 1-ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)guanidine is CCN/C(=N\CC1CCCCN1CC)NC1CCCC(S(=O)CC)C1.
What is the InChIKey of 1-ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)guanidine?
The InChIKey is UVCBVBILMXNZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4OS/c1-4-20-19(21-15-17-11-7-8-13-23(17)5-2)22-16-10-9-12-18(14-16)25(24)6-3/h16-18H,4-15H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)guanidine?
1-ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)guanidine has a molecular weight of 370.61 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)guanidine is sourced from PubChem (CID 109439197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).