N',2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiomorpholine-4-carboximidamide

C14H28N4S — CID 109489411

IUPACN',2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiomorpholine-4-carboximidamide
SMILESC/N=C(\NCC1CCCN1C)N1CCSC(C)(C)C1
InChIInChI=1S/C14H28N4S/c1-14(2)11-18(8-9-19-14)13(15-3)16-10-12-6-5-7-17(12)4/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyKCTQUNFAWJTBMW-UHFFFAOYSA-N
MW284.47 g/mol
LogP1.48
Rot. Bonds2

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

N',2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiomorpholine-4-carboximidamide (PubChem CID 109489411) has the molecular formula C14H28N4S and a molecular weight of 284.47 g/mol. Its IUPAC name is N',2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN',2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiomorpholine-4-carboximidamide
PubChem CID109489411
Molecular FormulaC14H28N4S
Molecular Weight284.47 g/mol
Exact Mass284.20
IUPAC NameN',2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiomorpholine-4-carboximidamide
SMILESC/N=C(\NCC1CCCN1C)N1CCSC(C)(C)C1
InChIInChI=1S/C14H28N4S/c1-14(2)11-18(8-9-19-14)13(15-3)16-10-12-6-5-7-17(12)4/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyKCTQUNFAWJTBMW-UHFFFAOYSA-N
XLogP1.48
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(1-methylpyrrolidin-2-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-cyclopropylethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488453
N',2,2-trimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine-4-carboximidamide
CID 109489855
N',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide
CID 109488612
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'-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488054
N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109489661
1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 109487444
N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489262
N',2,2-trimethyl-N-[(4-methylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489910
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488134

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N',2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiomorpholine-4-carboximidamide (CID 109489411) is N',2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N',2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N',2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiomorpholine-4-carboximidamide is C/N=C(\NCC1CCCN1C)N1CCSC(C)(C)C1.
What is the InChIKey of N',2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiomorpholine-4-carboximidamide?
The InChIKey is KCTQUNFAWJTBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4S/c1-14(2)11-18(8-9-19-14)13(15-3)16-10-12-6-5-7-17(12)4/h12H,5-11H2,1-4H3,(H,15,16).
What are the key properties of N',2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiomorpholine-4-carboximidamide?
N',2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiomorpholine-4-carboximidamide has a molecular weight of 284.47 g/mol, XLogP of 1.48, 2 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-[(1-methylpyrrolidin-2-yl)methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109489411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).