1-cyclopentyl-2-(1,4-dithian-2-ylmethyl)guanidine

C11H21N3S2 — CID 115684905

IUPAC1-cyclopentyl-2-(1,4-dithian-2-ylmethyl)guanidine
SMILESN/C(=N\CC1CSCCS1)NC1CCCC1
InChIInChI=1S/C11H21N3S2/c12-11(14-9-3-1-2-4-9)13-7-10-8-15-5-6-16-10/h9-10H,1-8H2,(H3,12,13,14)
InChIKeyOFUIXSFEJYQGPU-UHFFFAOYSA-N
MW259.44 g/mol
LogP1.68
Rot. Bonds3

About 1-cyclopentyl-2-(1,4-dithian-2-ylmethyl)guanidine

1-cyclopentyl-2-(1,4-dithian-2-ylmethyl)guanidine (PubChem CID 115684905) has the molecular formula C11H21N3S2 and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-cyclopentyl-2-(1,4-dithian-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-(1,4-dithian-2-ylmethyl)guanidine
PubChem CID115684905
Molecular FormulaC11H21N3S2
Molecular Weight259.44 g/mol
Exact Mass259.12
IUPAC Name1-cyclopentyl-2-(1,4-dithian-2-ylmethyl)guanidine
SMILESN/C(=N\CC1CSCCS1)NC1CCCC1
InChIInChI=1S/C11H21N3S2/c12-11(14-9-3-1-2-4-9)13-7-10-8-15-5-6-16-10/h9-10H,1-8H2,(H3,12,13,14)
InChIKeyOFUIXSFEJYQGPU-UHFFFAOYSA-N
XLogP1.68
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 51.68
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'}

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Related Compounds

1-cyclopentyl-2-(thian-2-ylmethyl)guanidine
CID 80599933
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-cyclohexyl-3-[[(2R)-1,4-dithian-2-yl]methyl]urea
CID 95975061
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554
1-amino-3-cyclohexyl-2-(thiolan-2-ylmethyl)guanidine
CID 104887499
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclopropyl-2-[(2-hydroxycyclohexyl)methyl]guanidine
CID 64911289
1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 62363418
1-cyclohexyl-2-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110932852
1-cyclohexyl-2-[(1-ethylpiperidin-2-yl)methyl]guanidine
CID 111803516
1-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine
CID 120606194
1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 111804808

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(1,4-dithian-2-ylmethyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-(1,4-dithian-2-ylmethyl)guanidine (CID 115684905) is 1-cyclopentyl-2-(1,4-dithian-2-ylmethyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-(1,4-dithian-2-ylmethyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-(1,4-dithian-2-ylmethyl)guanidine is N/C(=N\CC1CSCCS1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(1,4-dithian-2-ylmethyl)guanidine?
The InChIKey is OFUIXSFEJYQGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S2/c12-11(14-9-3-1-2-4-9)13-7-10-8-15-5-6-16-10/h9-10H,1-8H2,(H3,12,13,14).
What are the key properties of 1-cyclopentyl-2-(1,4-dithian-2-ylmethyl)guanidine?
1-cyclopentyl-2-(1,4-dithian-2-ylmethyl)guanidine has a molecular weight of 259.44 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(1,4-dithian-2-ylmethyl)guanidine is sourced from PubChem (CID 115684905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).