1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine

C17H27N5S — CID 119147612

IUPAC1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
SMILESN/C(=N\CC1(N2CCSCC2)CCCCC1)Nc1ccccn1
InChIInChI=1S/C17H27N5S/c18-16(21-15-6-2-5-9-19-15)20-14-17(7-3-1-4-8-17)22-10-12-23-13-11-22/h2,5-6,9H,1,3-4,7-8,10-14H2,(H3,18,19,20,21)
InChIKeyFDSODUWTDJRMEN-UHFFFAOYSA-N
MW333.50 g/mol
LogP2.56
Rot. Bonds4

About 1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine

1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine (PubChem CID 119147612) has the molecular formula C17H27N5S and a molecular weight of 333.50 g/mol. Its IUPAC name is 1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
PubChem CID119147612
Molecular FormulaC17H27N5S
Molecular Weight333.50 g/mol
Exact Mass333.20
IUPAC Name1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
SMILESN/C(=N\CC1(N2CCSCC2)CCCCC1)Nc1ccccn1
InChIInChI=1S/C17H27N5S/c18-16(21-15-6-2-5-9-19-15)20-14-17(7-3-1-4-8-17)22-10-12-23-13-11-22/h2,5-6,9H,1,3-4,7-8,10-14H2,(H3,18,19,20,21)
InChIKeyFDSODUWTDJRMEN-UHFFFAOYSA-N
XLogP2.56
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]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

2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120558132
1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide
CID 111067593
2-[(1-hydroxycyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119146788
2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119117281
1-ethyl-3-(2-pyridin-2-ylethyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111828431
2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111067632
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111811584
1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111811626
2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120605860
2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine
CID 120581767
1-(2-methylprop-2-enyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111811622
2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
CID 119934704

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine?
The IUPAC name of 1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine (CID 119147612) is 1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine?
The canonical SMILES for 1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine is N/C(=N\CC1(N2CCSCC2)CCCCC1)Nc1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine?
The InChIKey is FDSODUWTDJRMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5S/c18-16(21-15-6-2-5-9-19-15)20-14-17(7-3-1-4-8-17)22-10-12-23-13-11-22/h2,5-6,9H,1,3-4,7-8,10-14H2,(H3,18,19,20,21).
What are the key properties of 1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine?
1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine has a molecular weight of 333.50 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 119147612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).