N',2,2-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide

C13H23N5S — CID 109488997

IUPACN',2,2-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide
SMILESC/N=C(\NCc1ccnn1C)N1CCSC(C)(C)C1
InChIInChI=1S/C13H23N5S/c1-13(2)10-18(7-8-19-13)12(14-3)15-9-11-5-6-16-17(11)4/h5-6H,7-10H2,1-4H3,(H,14,15)
InChIKeyWNZORRMVIBJKIF-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.32
Rot. Bonds2

About N',2,2-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide

N',2,2-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide (PubChem CID 109488997) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is N',2,2-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN',2,2-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide
PubChem CID109488997
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC NameN',2,2-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide
SMILESC/N=C(\NCc1ccnn1C)N1CCSC(C)(C)C1
InChIInChI=1S/C13H23N5S/c1-13(2)10-18(7-8-19-13)12(14-3)15-9-11-5-6-16-17(11)4/h5-6H,7-10H2,1-4H3,(H,14,15)
InChIKeyWNZORRMVIBJKIF-UHFFFAOYSA-N
XLogP1.32
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N',2,2-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide 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-[(1-methylpyrazol-4-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487359
N',2,2,3,3-pentamethyl-N-[(2-methylpyrazol-3-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109453024
N-benzyl-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488258
2-ethyl-N'-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 109486234
N',2,2-trimethyl-N-[(4-methylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489910
N',2,2-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
CID 109488207
N',2,2-trimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide
CID 109489059
N',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109488372
N',2,2-trimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiomorpholine-4-carboximidamide
CID 109488881
N',2,2-trimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 109487913
N-[(4-cyanophenyl)methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488904
N',2,2-trimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489652

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N',2,2-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide (CID 109488997) is N',2,2-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N',2,2-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N',2,2-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide is C/N=C(\NCc1ccnn1C)N1CCSC(C)(C)C1.
What is the InChIKey of N',2,2-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide?
The InChIKey is WNZORRMVIBJKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-13(2)10-18(7-8-19-13)12(14-3)15-9-11-5-6-16-17(11)4/h5-6H,7-10H2,1-4H3,(H,14,15).
What are the key properties of N',2,2-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide?
N',2,2-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide has a molecular weight of 281.43 g/mol, XLogP of 1.32, 2 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-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109488997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).