N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide

C16H25N3OS — CID 111818118

IUPACN'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide
SMILESN/C(=N\CC1(c2cccs2)CCCCC1)N1CCOCC1
InChIInChI=1S/C16H25N3OS/c17-15(19-8-10-20-11-9-19)18-13-16(6-2-1-3-7-16)14-5-4-12-21-14/h4-5,12H,1-3,6-11,13H2,(H2,17,18)
InChIKeyGVKPFCNFWBLBEP-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.60
Rot. Bonds3

About N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide

N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide (PubChem CID 111818118) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide
PubChem CID111818118
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide
SMILESN/C(=N\CC1(c2cccs2)CCCCC1)N1CCOCC1
InChIInChI=1S/C16H25N3OS/c17-15(19-8-10-20-11-9-19)18-13-16(6-2-1-3-7-16)14-5-4-12-21-14/h4-5,12H,1-3,6-11,13H2,(H2,17,18)
InChIKeyGVKPFCNFWBLBEP-UHFFFAOYSA-N
XLogP2.60
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide 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

N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038642
N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038801
N'-[[1-(2-methoxyphenyl)cyclopentyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111078968
N'-[[1-(4-bromophenyl)cyclobutyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077358
N'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide
CID 111812086
1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
CID 110031366
N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide
CID 111027067
N'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111805279
N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120973772
morpholin-4-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944617
1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
CID 111818134
N'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide
CID 75515058

Frequently Asked Questions

What is the IUPAC name of N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide (CID 111818118) is N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide is N/C(=N\CC1(c2cccs2)CCCCC1)N1CCOCC1.
What is the InChIKey of N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide?
The InChIKey is GVKPFCNFWBLBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c17-15(19-8-10-20-11-9-19)18-13-16(6-2-1-3-7-16)14-5-4-12-21-14/h4-5,12H,1-3,6-11,13H2,(H2,17,18).
What are the key properties of N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide?
N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide has a molecular weight of 307.46 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111818118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).