3-amino-2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine

C11H22N4S — CID 104883663

IUPAC3-amino-2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine
SMILESCN(/C(=N/C1CCCC1)NN)C1CCSC1
InChIInChI=1S/C11H22N4S/c1-15(10-6-7-16-8-10)11(14-12)13-9-4-2-3-5-9/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyIDAMYRLPBANHST-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.19
Rot. Bonds2

About 3-amino-2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine

3-amino-2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine (PubChem CID 104883663) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is 3-amino-2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine.

Molecular Properties

Compound Name3-amino-2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine
PubChem CID104883663
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC Name3-amino-2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine
SMILESCN(/C(=N/C1CCCC1)NN)C1CCSC1
InChIInChI=1S/C11H22N4S/c1-15(10-6-7-16-8-10)11(14-12)13-9-4-2-3-5-9/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyIDAMYRLPBANHST-UHFFFAOYSA-N
XLogP1.19
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-Cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine
CID 62363597
1-Amino-2-butyl-3-(thiolan-3-yl)guanidine
CID 103065594
1-Amino-2-cyclopentyl-3-(thiolan-3-yl)guanidine
CID 103065596
3-Amino-1,2-dimethyl-1-(thiolan-3-yl)guanidine
CID 104881985
3-Amino-1,2-dimethyl-1-(1-methylsulfanylbutan-2-yl)guanidine
CID 104882429
3-Amino-1,2-dimethyl-1-(4-methylsulfanylbutan-2-yl)guanidine
CID 104882488
N-amino-N'-cyclopentylthiomorpholine-4-carboximidamide
CID 104883436
3-Amino-2-butyl-1-methyl-1-(thiolan-3-yl)guanidine
CID 104883658
3-Amino-2-ethyl-1-methyl-1-(thiolan-3-yl)guanidine
CID 104883660
3-Amino-1-methyl-2-propyl-1-(thiolan-3-yl)guanidine
CID 104883661
3-Amino-1-methyl-2-propan-2-yl-1-(thiolan-3-yl)guanidine
CID 104883664
3-Amino-1-methyl-2-(2-methylpropyl)-1-(thiolan-3-yl)guanidine
CID 104883665

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine?
The IUPAC name of 3-amino-2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine (CID 104883663) is 3-amino-2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine.
What is the SMILES notation for 3-amino-2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine?
The canonical SMILES for 3-amino-2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine is CN(/C(=N/C1CCCC1)NN)C1CCSC1.
What is the InChIKey of 3-amino-2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine?
The InChIKey is IDAMYRLPBANHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-15(10-6-7-16-8-10)11(14-12)13-9-4-2-3-5-9/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine?
3-amino-2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine has a molecular weight of 242.39 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine is sourced from PubChem (CID 104883663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).