1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)guanidine

C12H25N5S — CID 106327693

IUPAC1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)guanidine
SMILESNN/C(=N\CCN1CCSCC1)NC1CCCC1
InChIInChI=1S/C12H25N5S/c13-16-12(15-11-3-1-2-4-11)14-5-6-17-7-9-18-10-8-17/h11H,1-10,13H2,(H2,14,15,16)
InChIKeyDEXPJNRUGSIXNZ-UHFFFAOYSA-N
MW271.43 g/mol
LogP0.39
Rot. Bonds4

About 1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)guanidine

1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)guanidine (PubChem CID 106327693) has the molecular formula C12H25N5S and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)guanidine
PubChem CID106327693
Molecular FormulaC12H25N5S
Molecular Weight271.43 g/mol
Exact Mass271.18
IUPAC Name1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)guanidine
SMILESNN/C(=N\CCN1CCSCC1)NC1CCCC1
InChIInChI=1S/C12H25N5S/c13-16-12(15-11-3-1-2-4-11)14-5-6-17-7-9-18-10-8-17/h11H,1-10,13H2,(H2,14,15,16)
InChIKeyDEXPJNRUGSIXNZ-UHFFFAOYSA-N
XLogP0.39
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)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-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea
CID 106325042
1-cyclohexyl-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110959024
1-(1-cyclopentylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine
CID 119153800
1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117536
N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284
1-amino-3-cyclopentyl-2-(thian-4-yl)guanidine
CID 104888913
1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide
CID 119154337
1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine
CID 107299078
1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide
CID 111752643
1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine
CID 104883783
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine
CID 62573834
1-amino-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)guanidine?
The IUPAC name of 1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)guanidine (CID 106327693) is 1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)guanidine?
The canonical SMILES for 1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)guanidine is NN/C(=N\CCN1CCSCC1)NC1CCCC1.
What is the InChIKey of 1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)guanidine?
The InChIKey is DEXPJNRUGSIXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5S/c13-16-12(15-11-3-1-2-4-11)14-5-6-17-7-9-18-10-8-17/h11H,1-10,13H2,(H2,14,15,16).
What are the key properties of 1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)guanidine?
1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)guanidine has a molecular weight of 271.43 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)guanidine is sourced from PubChem (CID 106327693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).