1-cyclopentyl-2-(thian-2-ylmethyl)guanidine

C12H23N3S — CID 80599933

IUPAC1-cyclopentyl-2-(thian-2-ylmethyl)guanidine
SMILESN/C(=N\CC1CCCCS1)NC1CCCC1
InChIInChI=1S/C12H23N3S/c13-12(15-10-5-1-2-6-10)14-9-11-7-3-4-8-16-11/h10-11H,1-9H2,(H3,13,14,15)
InChIKeyXILURMYOXCDQRT-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.12
Rot. Bonds3

About 1-cyclopentyl-2-(thian-2-ylmethyl)guanidine

1-cyclopentyl-2-(thian-2-ylmethyl)guanidine (PubChem CID 80599933) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-cyclopentyl-2-(thian-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-(thian-2-ylmethyl)guanidine
PubChem CID80599933
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name1-cyclopentyl-2-(thian-2-ylmethyl)guanidine
SMILESN/C(=N\CC1CCCCS1)NC1CCCC1
InChIInChI=1S/C12H23N3S/c13-12(15-10-5-1-2-6-10)14-9-11-7-3-4-8-16-11/h10-11H,1-9H2,(H3,13,14,15)
InChIKeyXILURMYOXCDQRT-UHFFFAOYSA-N
XLogP2.12
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1,4-dithian-2-ylmethyl)guanidine
CID 115684905
1-amino-3-cyclohexyl-2-(thiolan-2-ylmethyl)guanidine
CID 104887499
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclopropyl-2-[(2-hydroxycyclohexyl)methyl]guanidine
CID 64911289
N'-(thian-2-ylmethyl)benzenecarboximidamide
CID 80612620
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-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)methyl]guanidine
CID 55063969
2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine
CID 119120109

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(thian-2-ylmethyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-(thian-2-ylmethyl)guanidine (CID 80599933) is 1-cyclopentyl-2-(thian-2-ylmethyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-(thian-2-ylmethyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-(thian-2-ylmethyl)guanidine is N/C(=N\CC1CCCCS1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(thian-2-ylmethyl)guanidine?
The InChIKey is XILURMYOXCDQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c13-12(15-10-5-1-2-6-10)14-9-11-7-3-4-8-16-11/h10-11H,1-9H2,(H3,13,14,15).
What are the key properties of 1-cyclopentyl-2-(thian-2-ylmethyl)guanidine?
1-cyclopentyl-2-(thian-2-ylmethyl)guanidine has a molecular weight of 241.40 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(thian-2-ylmethyl)guanidine is sourced from PubChem (CID 80599933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).