N-amino-N'-cyclohexylthiomorpholine-4-carboximidamide

C11H22N4S — CID 104883434

IUPACN-amino-N'-cyclohexylthiomorpholine-4-carboximidamide
SMILESNN/C(=N\C1CCCCC1)N1CCSCC1
InChIInChI=1S/C11H22N4S/c12-14-11(15-6-8-16-9-7-15)13-10-4-2-1-3-5-10/h10H,1-9,12H2,(H,13,14)
InChIKeyJWPRXZAVNVKUIJ-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.19
Rot. Bonds1

About N-amino-N'-cyclohexylthiomorpholine-4-carboximidamide

N-amino-N'-cyclohexylthiomorpholine-4-carboximidamide (PubChem CID 104883434) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is N-amino-N'-cyclohexylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexylthiomorpholine-4-carboximidamide
PubChem CID104883434
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC NameN-amino-N'-cyclohexylthiomorpholine-4-carboximidamide
SMILESNN/C(=N\C1CCCCC1)N1CCSCC1
InChIInChI=1S/C11H22N4S/c12-14-11(15-6-8-16-9-7-15)13-10-4-2-1-3-5-10/h10H,1-9,12H2,(H,13,14)
InChIKeyJWPRXZAVNVKUIJ-UHFFFAOYSA-N
XLogP1.19
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
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

N-amino-N'-cyclohexyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide
CID 107460335
N-amino-N'-cyclopentyl-4-cyclopropylpiperazine-1-carboximidamide
CID 104885662
N-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide
CID 104886543
N-amino-N',2-dicyclopentylpyrrolidine-1-carboximidamide
CID 104884664
N-amino-N'-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboximidamide
CID 116512879
N,N'-dicyclohexylaziridine-1-carboximidamide
CID 566641
N-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 104886953
N-amino-N'-cyclohexyl-2-propylpiperidine-1-carboximidamide
CID 104887901
N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide
CID 104884388
N-amino-N'-propylthiomorpholine-4-carboximidamide
CID 104883433
N-amino-N'-cyclohexyl-3-methylmorpholine-4-carboximidamide
CID 104883870
N-amino-N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
CID 104884561

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclohexylthiomorpholine-4-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexylthiomorpholine-4-carboximidamide (CID 104883434) is N-amino-N'-cyclohexylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexylthiomorpholine-4-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexylthiomorpholine-4-carboximidamide is NN/C(=N\C1CCCCC1)N1CCSCC1.
What is the InChIKey of N-amino-N'-cyclohexylthiomorpholine-4-carboximidamide?
The InChIKey is JWPRXZAVNVKUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c12-14-11(15-6-8-16-9-7-15)13-10-4-2-1-3-5-10/h10H,1-9,12H2,(H,13,14).
What are the key properties of N-amino-N'-cyclohexylthiomorpholine-4-carboximidamide?
N-amino-N'-cyclohexylthiomorpholine-4-carboximidamide has a molecular weight of 242.39 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 104883434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).