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

C10H19N3S — CID 103063372

IUPAC2-cyclopentyl-1-(thiolan-3-yl)guanidine
SMILESN/C(=N\C1CCCC1)NC1CCSC1
InChIInChI=1S/C10H19N3S/c11-10(12-8-3-1-2-4-8)13-9-5-6-14-7-9/h8-9H,1-7H2,(H3,11,12,13)
InChIKeyYBMHKDCVDLXVNG-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.34
Rot. Bonds2

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

2-cyclopentyl-1-(thiolan-3-yl)guanidine (PubChem CID 103063372) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-cyclopentyl-1-(thiolan-3-yl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-(thiolan-3-yl)guanidine
PubChem CID103063372
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name2-cyclopentyl-1-(thiolan-3-yl)guanidine
SMILESN/C(=N\C1CCCC1)NC1CCSC1
InChIInChI=1S/C10H19N3S/c11-10(12-8-3-1-2-4-8)13-9-5-6-14-7-9/h8-9H,1-7H2,(H3,11,12,13)
InChIKeyYBMHKDCVDLXVNG-UHFFFAOYSA-N
XLogP1.34
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(thiolan-3-yl)guanidine?
The IUPAC name of 2-cyclopentyl-1-(thiolan-3-yl)guanidine (CID 103063372) is 2-cyclopentyl-1-(thiolan-3-yl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-(thiolan-3-yl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-(thiolan-3-yl)guanidine is N/C(=N\C1CCCC1)NC1CCSC1.
What is the InChIKey of 2-cyclopentyl-1-(thiolan-3-yl)guanidine?
The InChIKey is YBMHKDCVDLXVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c11-10(12-8-3-1-2-4-8)13-9-5-6-14-7-9/h8-9H,1-7H2,(H3,11,12,13).
What are the key properties of 2-cyclopentyl-1-(thiolan-3-yl)guanidine?
2-cyclopentyl-1-(thiolan-3-yl)guanidine has a molecular weight of 213.35 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(thiolan-3-yl)guanidine is sourced from PubChem (CID 103063372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).