N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide

C13H28IN3S — CID 109487450

IUPACN',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCCCCN/C(=N\C)N1CCSC(C)(C)C1.I
InChIInChI=1S/C13H27N3S.HI/c1-5-6-7-8-15-12(14-4)16-9-10-17-13(2,3)11-16;/h5-11H2,1-4H3,(H,14,15);1H
InChIKeyIHDIESJTIKYKHQ-UHFFFAOYSA-N
MW385.36 g/mol
LogP3.20
Rot. Bonds4

About N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide

N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109487450) has the molecular formula C13H28IN3S and a molecular weight of 385.36 g/mol. Its IUPAC name is N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109487450
Molecular FormulaC13H28IN3S
Molecular Weight385.36 g/mol
Exact Mass385.10
IUPAC NameN',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCCCCN/C(=N\C)N1CCSC(C)(C)C1.I
InChIInChI=1S/C13H27N3S.HI/c1-5-6-7-8-15-12(14-4)16-9-10-17-13(2,3)11-16;/h5-11H2,1-4H3,(H,14,15);1H
InChIKeyIHDIESJTIKYKHQ-UHFFFAOYSA-N
XLogP3.20
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

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-[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-[4-[methyl(propan-2-yl)amino]butyl]thiomorpholine-4-carboximidamide
CID 109489401
methyl 5-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]pentanoate
CID 109488945
N',2,2-trimethyl-N-(3-propan-2-yloxypropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109487822
N-(2-cyclopropylethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488453
N',2,2-trimethyl-N-[4-(4-methylpiperidin-1-yl)butyl]thiomorpholine-4-carboximidamide
CID 109489557
N-[3-(4-hydroxyphenyl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488806
N-[2-(diethylsulfamoyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488104
N',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109488372

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide (CID 109487450) is N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide is CCCCCN/C(=N\C)N1CCSC(C)(C)C1.I.
What is the InChIKey of N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is IHDIESJTIKYKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S.HI/c1-5-6-7-8-15-12(14-4)16-9-10-17-13(2,3)11-16;/h5-11H2,1-4H3,(H,14,15);1H.
What are the key properties of N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide?
N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 385.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109487450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).