N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide

C19H39N5S — CID 109486800

IUPACN,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CCCCN1CCN(CC)CC1)N1CCSC(CC)C1
InChIInChI=1S/C19H39N5S/c1-4-18-17-24(15-16-25-18)19(20-5-2)21-9-7-8-10-23-13-11-22(6-3)12-14-23/h18H,4-17H2,1-3H3,(H,20,21)
InChIKeyMCSVNIIJJYUBMB-UHFFFAOYSA-N
MW369.62 g/mol
LogP2.20
Rot. Bonds8

About N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide

N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide (PubChem CID 109486800) has the molecular formula C19H39N5S and a molecular weight of 369.62 g/mol. Its IUPAC name is N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide
PubChem CID109486800
Molecular FormulaC19H39N5S
Molecular Weight369.62 g/mol
Exact Mass369.29
IUPAC NameN,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CCCCN1CCN(CC)CC1)N1CCSC(CC)C1
InChIInChI=1S/C19H39N5S/c1-4-18-17-24(15-16-25-18)19(20-5-2)21-9-7-8-10-23-13-11-22(6-3)12-14-23/h18H,4-17H2,1-3H3,(H,20,21)
InChIKeyMCSVNIIJJYUBMB-UHFFFAOYSA-N
XLogP2.20
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.62
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]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-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486786
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109489563
N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485608
N,2-diethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]thiomorpholine-4-carboximidamide
CID 109487166
N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489562
3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide
CID 109485254
N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485266
N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 111734061
N,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide
CID 109486322
N,2-diethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 109486618
3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109486921

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide (CID 109486800) is N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide is CCN/C(=N\CCCCN1CCN(CC)CC1)N1CCSC(CC)C1.
What is the InChIKey of N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide?
The InChIKey is MCSVNIIJJYUBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N5S/c1-4-18-17-24(15-16-25-18)19(20-5-2)21-9-7-8-10-23-13-11-22(6-3)12-14-23/h18H,4-17H2,1-3H3,(H,20,21).
What are the key properties of N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide?
N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide has a molecular weight of 369.62 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109486800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).