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

C15H30N4S — CID 111811626

IUPAC1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
SMILESCCCN/C(N)=N/CC1(N2CCSCC2)CCCCC1
InChIInChI=1S/C15H30N4S/c1-2-8-17-14(16)18-13-15(6-4-3-5-7-15)19-9-11-20-12-10-19/h2-13H2,1H3,(H3,16,17,18)
InChIKeyAARQSLFHVXDNAQ-UHFFFAOYSA-N
MW298.50 g/mol
LogP2.05
Rot. Bonds5

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

1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine (PubChem CID 111811626) has the molecular formula C15H30N4S and a molecular weight of 298.50 g/mol. Its IUPAC name is 1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
PubChem CID111811626
Molecular FormulaC15H30N4S
Molecular Weight298.50 g/mol
Exact Mass298.22
IUPAC Name1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
SMILESCCCN/C(N)=N/CC1(N2CCSCC2)CCCCC1
InChIInChI=1S/C15H30N4S/c1-2-8-17-14(16)18-13-15(6-4-3-5-7-15)19-9-11-20-12-10-19/h2-13H2,1H3,(H3,16,17,18)
InChIKeyAARQSLFHVXDNAQ-UHFFFAOYSA-N
XLogP2.05
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 52.05
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-propyl-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-ylcyclohexyl)methyl]-1-propylguanidine
CID 111027624
1-(2-methylprop-2-enyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111811622
1-ethyl-3-propyl-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine
CID 111228595
1-(3-morpholin-4-ylpropyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine
CID 111067628
2-methyl-1-propyl-3-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111829013
N-[2-[[N-ethyl-N'-[(1-thiomorpholin-4-ylcyclopentyl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927221
N'-[(1-thiomorpholin-4-ylcyclopentyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111067655
1-ethyl-3-(2-methoxyethyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111825960
1-(3,4-dimethylphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide
CID 111067617
2-[(2-methylthiolan-2-yl)methyl]-1-propylguanidine
CID 80528023
1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 119147612
1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide
CID 111067593

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine?
The IUPAC name of 1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine (CID 111811626) is 1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine?
The canonical SMILES for 1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine is CCCN/C(N)=N/CC1(N2CCSCC2)CCCCC1.
What is the InChIKey of 1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine?
The InChIKey is AARQSLFHVXDNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4S/c1-2-8-17-14(16)18-13-15(6-4-3-5-7-15)19-9-11-20-12-10-19/h2-13H2,1H3,(H3,16,17,18).
What are the key properties of 1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine?
1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine has a molecular weight of 298.50 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 111811626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).