1-(2-methylprop-2-enyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine

C16H30N4S — CID 111811622

IUPAC1-(2-methylprop-2-enyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
SMILESC=C(C)CN/C(N)=N/CC1(N2CCSCC2)CCCCC1
InChIInChI=1S/C16H30N4S/c1-14(2)12-18-15(17)19-13-16(6-4-3-5-7-16)20-8-10-21-11-9-20/h1,3-13H2,2H3,(H3,17,18,19)
InChIKeyOSCUHKXKKVDELT-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.22
Rot. Bonds5

About 1-(2-methylprop-2-enyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine

1-(2-methylprop-2-enyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine (PubChem CID 111811622) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
PubChem CID111811622
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC Name1-(2-methylprop-2-enyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
SMILESC=C(C)CN/C(N)=N/CC1(N2CCSCC2)CCCCC1
InChIInChI=1S/C16H30N4S/c1-14(2)12-18-15(17)19-13-16(6-4-3-5-7-16)20-8-10-21-11-9-20/h1,3-13H2,2H3,(H3,17,18,19)
InChIKeyOSCUHKXKKVDELT-UHFFFAOYSA-N
XLogP2.22
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.22
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111811626
1-(2-methylprop-2-enyl)-2-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine
CID 111079669
1-(3-morpholin-4-ylpropyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine
CID 111067628
N'-[(1-thiomorpholin-4-ylcyclopentyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111067655
1-(3,4-dimethylphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide
CID 111067617
1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 119147612
1-ethyl-3-propyl-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine
CID 111228595
2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine
CID 111027624
2-[(4-methyloxan-4-yl)methyl]-1-(2-methylprop-2-enyl)guanidine
CID 119152246
1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide
CID 111067593
1-ethyl-3-(2-methoxyethyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111825960
1-(2-methylprop-2-enyl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine
CID 120662776

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine?
The IUPAC name of 1-(2-methylprop-2-enyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine (CID 111811622) is 1-(2-methylprop-2-enyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine is C=C(C)CN/C(N)=N/CC1(N2CCSCC2)CCCCC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine?
The InChIKey is OSCUHKXKKVDELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-14(2)12-18-15(17)19-13-16(6-4-3-5-7-16)20-8-10-21-11-9-20/h1,3-13H2,2H3,(H3,17,18,19).
What are the key properties of 1-(2-methylprop-2-enyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine?
1-(2-methylprop-2-enyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine has a molecular weight of 310.51 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 111811622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).