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

C12H24N4S — CID 107299078

IUPAC1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine
SMILESNN/C(=N\CC1CCSC1)NC1CCCCC1
InChIInChI=1S/C12H24N4S/c13-16-12(14-8-10-6-7-17-9-10)15-11-4-2-1-3-5-11/h10-11H,1-9,13H2,(H2,14,15,16)
InChIKeyOHNDMCGOLQCNDY-UHFFFAOYSA-N
MW256.42 g/mol
LogP1.48
Rot. Bonds3

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

1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine (PubChem CID 107299078) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine
PubChem CID107299078
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC Name1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine
SMILESNN/C(=N\CC1CCSC1)NC1CCCCC1
InChIInChI=1S/C12H24N4S/c13-16-12(14-8-10-6-7-17-9-10)15-11-4-2-1-3-5-11/h10-11H,1-9,13H2,(H2,14,15,16)
InChIKeyOHNDMCGOLQCNDY-UHFFFAOYSA-N
XLogP1.48
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 51.48
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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Related Compounds

1-Amino-2-(2-methylpropyl)-3-(thiolan-3-yl)guanidine
CID 103065584
1-Amino-2-cyclohexyl-3-(thiolan-3-yl)guanidine
CID 103065585
1-Amino-2-butyl-3-(thiolan-3-yl)guanidine
CID 103065594
1-Amino-2-cyclopentyl-3-(thiolan-3-yl)guanidine
CID 103065596
1-Amino-2-methyl-3-[(2-methylthiolan-2-yl)methyl]guanidine
CID 104882383
1-Amino-2-cyclohexyl-3-(1,1-dioxothiolan-3-yl)guanidine
CID 104883033
1-Amino-3-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)methyl]guanidine
CID 104884209
1-Amino-3-cyclohexyl-2-(2-methylsulfanylethyl)guanidine
CID 104886175
1-Amino-3-cyclohexyl-2-(2-methyl-3-methylsulfanylpropyl)guanidine
CID 104886198
1-Amino-3-cyclopentyl-2-(2-methyl-3-methylsulfanylpropyl)guanidine
CID 104886200
1-Amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine
CID 104886471
1-Amino-3-butyl-2-(thiolan-2-ylmethyl)guanidine
CID 104887495

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine (CID 107299078) is 1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine is NN/C(=N\CC1CCSC1)NC1CCCCC1.
What is the InChIKey of 1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine?
The InChIKey is OHNDMCGOLQCNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c13-16-12(14-8-10-6-7-17-9-10)15-11-4-2-1-3-5-11/h10-11H,1-9,13H2,(H2,14,15,16).
What are the key properties of 1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine?
1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine has a molecular weight of 256.42 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine is sourced from PubChem (CID 107299078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).