N',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide

C16H33IN4OS — CID 109487393

IUPACN',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCCN1CCOCC1)N1CCSC(C)(C)C1.I
InChIInChI=1S/C16H32N4OS.HI/c1-16(2)14-20(10-13-22-16)15(17-3)18-6-4-5-7-19-8-11-21-12-9-19;/h4-14H2,1-3H3,(H,17,18);1H
InChIKeyOEAGNZLNKCPZIA-UHFFFAOYSA-N
MW456.44 g/mol
LogP2.12
Rot. Bonds5

About N',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide

N',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109487393) has the molecular formula C16H33IN4OS and a molecular weight of 456.44 g/mol. Its IUPAC name is N',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109487393
Molecular FormulaC16H33IN4OS
Molecular Weight456.44 g/mol
Exact Mass456.14
IUPAC NameN',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCCN1CCOCC1)N1CCSC(C)(C)C1.I
InChIInChI=1S/C16H32N4OS.HI/c1-16(2)14-20(10-13-22-16)15(17-3)18-6-4-5-7-19-8-11-21-12-9-19;/h4-14H2,1-3H3,(H,17,18);1H
InChIKeyOEAGNZLNKCPZIA-UHFFFAOYSA-N
XLogP2.12
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-ethylpiperazin-1-yl)butyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109488574
N',2,2-trimethyl-N-[4-(4-methylpiperidin-1-yl)butyl]thiomorpholine-4-carboximidamide
CID 109489557
N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487450
N-(3-fluoropropyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489790
N-[7-(dimethylamino)heptyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109489551
N',2,2-trimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide
CID 109489077
methyl 5-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]pentanoate
CID 109488945
N',2,2-trimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489652
1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 109487444
N',2,2-trimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]thiomorpholine-4-carboximidamide
CID 109489401
N',2,2-trimethyl-N-(3-propan-2-yloxypropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109487822
2-ethyl-N'-methyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide
CID 109484636

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide (CID 109487393) is N',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide is C/N=C(\NCCCCN1CCOCC1)N1CCSC(C)(C)C1.I.
What is the InChIKey of N',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is OEAGNZLNKCPZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4OS.HI/c1-16(2)14-20(10-13-22-16)15(17-3)18-6-4-5-7-19-8-11-21-12-9-19;/h4-14H2,1-3H3,(H,17,18);1H.
What are the key properties of N',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide?
N',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 456.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109487393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).