N',2,2-trimethyl-N-[4-(4-methylpiperidin-1-yl)butyl]thiomorpholine-4-carboximidamide

C18H36N4S — CID 109489557

IUPACN',2,2-trimethyl-N-[4-(4-methylpiperidin-1-yl)butyl]thiomorpholine-4-carboximidamide
SMILESC/N=C(\NCCCCN1CCC(C)CC1)N1CCSC(C)(C)C1
InChIInChI=1S/C18H36N4S/c1-16-7-11-21(12-8-16)10-6-5-9-20-17(19-4)22-13-14-23-18(2,3)15-22/h16H,5-15H2,1-4H3,(H,19,20)
InChIKeyOVEQBXGLWZVHFU-UHFFFAOYSA-N
MW340.58 g/mol
LogP2.90
Rot. Bonds5

About N',2,2-trimethyl-N-[4-(4-methylpiperidin-1-yl)butyl]thiomorpholine-4-carboximidamide

N',2,2-trimethyl-N-[4-(4-methylpiperidin-1-yl)butyl]thiomorpholine-4-carboximidamide (PubChem CID 109489557) has the molecular formula C18H36N4S and a molecular weight of 340.58 g/mol. Its IUPAC name is N',2,2-trimethyl-N-[4-(4-methylpiperidin-1-yl)butyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN',2,2-trimethyl-N-[4-(4-methylpiperidin-1-yl)butyl]thiomorpholine-4-carboximidamide
PubChem CID109489557
Molecular FormulaC18H36N4S
Molecular Weight340.58 g/mol
Exact Mass340.27
IUPAC NameN',2,2-trimethyl-N-[4-(4-methylpiperidin-1-yl)butyl]thiomorpholine-4-carboximidamide
SMILESC/N=C(\NCCCCN1CCC(C)CC1)N1CCSC(C)(C)C1
InChIInChI=1S/C18H36N4S/c1-16-7-11-21(12-8-16)10-6-5-9-20-17(19-4)22-13-14-23-18(2,3)15-22/h16H,5-15H2,1-4H3,(H,19,20)
InChIKeyOVEQBXGLWZVHFU-UHFFFAOYSA-N
XLogP2.90
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.58
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)butyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109488574
N',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109487393
N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487450
N',2,2-trimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine-4-carboximidamide
CID 109489855
N-[7-(dimethylamino)heptyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109489551
N-(3-fluoropropyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489790
methyl 5-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]pentanoate
CID 109488945
1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 109487444
N',4-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111211910
N-(2-cyclopropylethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488453
N',2,2-trimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]thiomorpholine-4-carboximidamide
CID 109489401
N',2,2-trimethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109488116

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N-[4-(4-methylpiperidin-1-yl)butyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N',2,2-trimethyl-N-[4-(4-methylpiperidin-1-yl)butyl]thiomorpholine-4-carboximidamide (CID 109489557) is N',2,2-trimethyl-N-[4-(4-methylpiperidin-1-yl)butyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N',2,2-trimethyl-N-[4-(4-methylpiperidin-1-yl)butyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N',2,2-trimethyl-N-[4-(4-methylpiperidin-1-yl)butyl]thiomorpholine-4-carboximidamide is C/N=C(\NCCCCN1CCC(C)CC1)N1CCSC(C)(C)C1.
What is the InChIKey of N',2,2-trimethyl-N-[4-(4-methylpiperidin-1-yl)butyl]thiomorpholine-4-carboximidamide?
The InChIKey is OVEQBXGLWZVHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4S/c1-16-7-11-21(12-8-16)10-6-5-9-20-17(19-4)22-13-14-23-18(2,3)15-22/h16H,5-15H2,1-4H3,(H,19,20).
What are the key properties of N',2,2-trimethyl-N-[4-(4-methylpiperidin-1-yl)butyl]thiomorpholine-4-carboximidamide?
N',2,2-trimethyl-N-[4-(4-methylpiperidin-1-yl)butyl]thiomorpholine-4-carboximidamide has a molecular weight of 340.58 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N-[4-(4-methylpiperidin-1-yl)butyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109489557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).