N'-[2-[cyclopropyl(methyl)amino]propyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide

C16H33IN4S — CID 109489344

IUPACN'-[2-[cyclopropyl(methyl)amino]propyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)N(C)C1CC1)N1CCSC(C)(C)C1.I
InChIInChI=1S/C16H32N4S.HI/c1-6-17-15(20-9-10-21-16(3,4)12-20)18-11-13(2)19(5)14-7-8-14;/h13-14H,6-12H2,1-5H3,(H,17,18);1H
InChIKeyRIJMHWFWWKIURD-UHFFFAOYSA-N
MW440.44 g/mol
LogP2.88
Rot. Bonds5

About N'-[2-[cyclopropyl(methyl)amino]propyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide

N'-[2-[cyclopropyl(methyl)amino]propyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109489344) has the molecular formula C16H33IN4S and a molecular weight of 440.44 g/mol. Its IUPAC name is N'-[2-[cyclopropyl(methyl)amino]propyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-[cyclopropyl(methyl)amino]propyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109489344
Molecular FormulaC16H33IN4S
Molecular Weight440.44 g/mol
Exact Mass440.15
IUPAC NameN'-[2-[cyclopropyl(methyl)amino]propyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)N(C)C1CC1)N1CCSC(C)(C)C1.I
InChIInChI=1S/C16H32N4S.HI/c1-6-17-15(20-9-10-21-16(3,4)12-20)18-11-13(2)19(5)14-7-8-14;/h13-14H,6-12H2,1-5H3,(H,17,18);1H
InChIKeyRIJMHWFWWKIURD-UHFFFAOYSA-N
XLogP2.88
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.44
LogP ≤ 52.88
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,2-dimethyl-N'-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489294
N'-[2-[cyclopropyl(methyl)amino]propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958906
N'-butyl-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109489605
3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109489680
N-ethyl-2,2-dimethyl-N'-(oxolan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109489280
3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylpropanamide
CID 109489681
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109487535
N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488567
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109488193
N'-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109488867
methyl 3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]propanoate;hydroiodide
CID 109488240
N-ethyl-N'-[(3-hydroxythiolan-3-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109488095

Frequently Asked Questions

What is the IUPAC name of N'-[2-[cyclopropyl(methyl)amino]propyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-[cyclopropyl(methyl)amino]propyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide (CID 109489344) is N'-[2-[cyclopropyl(methyl)amino]propyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-[cyclopropyl(methyl)amino]propyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-[cyclopropyl(methyl)amino]propyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide is CCN/C(=N\CC(C)N(C)C1CC1)N1CCSC(C)(C)C1.I.
What is the InChIKey of N'-[2-[cyclopropyl(methyl)amino]propyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is RIJMHWFWWKIURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4S.HI/c1-6-17-15(20-9-10-21-16(3,4)12-20)18-11-13(2)19(5)14-7-8-14;/h13-14H,6-12H2,1-5H3,(H,17,18);1H.
What are the key properties of N'-[2-[cyclopropyl(methyl)amino]propyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide?
N'-[2-[cyclopropyl(methyl)amino]propyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 440.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[cyclopropyl(methyl)amino]propyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109489344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).