N-benzyl-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide

C15H24IN3S — CID 109488258

IUPACN-benzyl-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ccccc1)N1CCSC(C)(C)C1.I
InChIInChI=1S/C15H23N3S.HI/c1-15(2)12-18(9-10-19-15)14(16-3)17-11-13-7-5-4-6-8-13;/h4-8H,9-12H2,1-3H3,(H,16,17);1H
InChIKeyQYTRZPNNPFGWAO-UHFFFAOYSA-N
MW405.35 g/mol
LogP3.21
Rot. Bonds2

About N-benzyl-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide

N-benzyl-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109488258) has the molecular formula C15H24IN3S and a molecular weight of 405.35 g/mol. Its IUPAC name is N-benzyl-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-benzyl-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109488258
Molecular FormulaC15H24IN3S
Molecular Weight405.35 g/mol
Exact Mass405.07
IUPAC NameN-benzyl-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ccccc1)N1CCSC(C)(C)C1.I
InChIInChI=1S/C15H23N3S.HI/c1-15(2)12-18(9-10-19-15)14(16-3)17-11-13-7-5-4-6-8-13;/h4-8H,9-12H2,1-3H3,(H,16,17);1H
InChIKeyQYTRZPNNPFGWAO-UHFFFAOYSA-N
XLogP3.21
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-N',2,2-trimethylthiomorpholine-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',2,2-trimethyl-N-[(4-methylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489910
N-[(4-cyanophenyl)methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488904
N',2,2-trimethyl-N-(2-phenylmethoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109490046
N',2,2-trimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide
CID 109489059
N',2,2-trimethyl-N-(2-phenylmethoxyethyl)thiomorpholine-4-carboximidamide
CID 109490047
4-[[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 109488876
N',2,2-trimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489652
3-[[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]methyl]benzamide
CID 109487783
N',2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487359
N',2,2-trimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide
CID 109488271
N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738646
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109489719

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N-benzyl-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide (CID 109488258) is N-benzyl-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N-benzyl-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N-benzyl-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide is C/N=C(\NCc1ccccc1)N1CCSC(C)(C)C1.I.
What is the InChIKey of N-benzyl-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is QYTRZPNNPFGWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S.HI/c1-15(2)12-18(9-10-19-15)14(16-3)17-11-13-7-5-4-6-8-13;/h4-8H,9-12H2,1-3H3,(H,16,17);1H.
What are the key properties of N-benzyl-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide?
N-benzyl-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 405.35 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109488258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).