N,2-diethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide

C18H37N5S — CID 109486618

IUPACN,2-diethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CC(C)CN1CCN(C)CC1)N1CCSC(CC)C1
InChIInChI=1S/C18H37N5S/c1-5-17-15-23(11-12-24-17)18(19-6-2)20-13-16(3)14-22-9-7-21(4)8-10-22/h16-17H,5-15H2,1-4H3,(H,19,20)
InChIKeyKQCIXEJNIQHOCF-UHFFFAOYSA-N
MW355.60 g/mol
LogP1.66
Rot. Bonds6

About N,2-diethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide

N,2-diethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide (PubChem CID 109486618) has the molecular formula C18H37N5S and a molecular weight of 355.60 g/mol. Its IUPAC name is N,2-diethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN,2-diethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide
PubChem CID109486618
Molecular FormulaC18H37N5S
Molecular Weight355.60 g/mol
Exact Mass355.28
IUPAC NameN,2-diethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CC(C)CN1CCN(C)CC1)N1CCSC(CC)C1
InChIInChI=1S/C18H37N5S/c1-5-17-15-23(11-12-24-17)18(19-6-2)20-13-16(3)14-22-9-7-21(4)8-10-22/h16-17H,5-15H2,1-4H3,(H,19,20)
InChIKeyKQCIXEJNIQHOCF-UHFFFAOYSA-N
XLogP1.66
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.60
LogP ≤ 51.66
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'}

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Related Compounds

N-ethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734690
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
N,2-diethyl-N'-[2-(2-hydroxyethyl)-4-methylpentyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487023
N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide
CID 109486800
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486786
2-ethyl-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486911
N,2-diethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109486269
(3R)-N-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypyrrolidine-1-carboximidamide
CID 111549700
N,2-diethyl-N'-[2-(hydroxymethyl)-2-methylbutyl]thiomorpholine-4-carboximidamide
CID 109486420
N,2-diethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboximidamide
CID 109485712
N,2-diethyl-N'-(2-hydroxy-3-phenylpropyl)thiomorpholine-4-carboximidamide
CID 109485916
tert-butyl N-[1-[N-ethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111730473

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N,2-diethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide (CID 109486618) is N,2-diethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N,2-diethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N,2-diethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide is CCN/C(=N\CC(C)CN1CCN(C)CC1)N1CCSC(CC)C1.
What is the InChIKey of N,2-diethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide?
The InChIKey is KQCIXEJNIQHOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5S/c1-5-17-15-23(11-12-24-17)18(19-6-2)20-13-16(3)14-22-9-7-21(4)8-10-22/h16-17H,5-15H2,1-4H3,(H,19,20).
What are the key properties of N,2-diethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide?
N,2-diethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide has a molecular weight of 355.60 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109486618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).