1-amino-2-cyclohexyl-3-(thiolan-3-yl)guanidine

C11H22N4S — CID 103065585

IUPAC1-amino-2-cyclohexyl-3-(thiolan-3-yl)guanidine
SMILESNN/C(=N\C1CCCCC1)NC1CCSC1
InChIInChI=1S/C11H22N4S/c12-15-11(14-10-6-7-16-8-10)13-9-4-2-1-3-5-9/h9-10H,1-8,12H2,(H2,13,14,15)
InChIKeyMPDMFLAPZLHSAO-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.23
Rot. Bonds2

About 1-amino-2-cyclohexyl-3-(thiolan-3-yl)guanidine

1-amino-2-cyclohexyl-3-(thiolan-3-yl)guanidine (PubChem CID 103065585) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(thiolan-3-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(thiolan-3-yl)guanidine
PubChem CID103065585
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC Name1-amino-2-cyclohexyl-3-(thiolan-3-yl)guanidine
SMILESNN/C(=N\C1CCCCC1)NC1CCSC1
InChIInChI=1S/C11H22N4S/c12-15-11(14-10-6-7-16-8-10)13-9-4-2-1-3-5-9/h9-10H,1-8,12H2,(H2,13,14,15)
InChIKeyMPDMFLAPZLHSAO-UHFFFAOYSA-N
XLogP1.23
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.23
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(thiolan-3-yl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(thiolan-3-yl)guanidine (CID 103065585) is 1-amino-2-cyclohexyl-3-(thiolan-3-yl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(thiolan-3-yl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(thiolan-3-yl)guanidine is NN/C(=N\C1CCCCC1)NC1CCSC1.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(thiolan-3-yl)guanidine?
The InChIKey is MPDMFLAPZLHSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c12-15-11(14-10-6-7-16-8-10)13-9-4-2-1-3-5-9/h9-10H,1-8,12H2,(H2,13,14,15).
What are the key properties of 1-amino-2-cyclohexyl-3-(thiolan-3-yl)guanidine?
1-amino-2-cyclohexyl-3-(thiolan-3-yl)guanidine has a molecular weight of 242.39 g/mol, XLogP of 1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclohexyl-3-(thiolan-3-yl)guanidine is sourced from PubChem (CID 103065585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).