N',2,2-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide

C18H36N4OS — CID 109487585

IUPACN',2,2-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide
SMILESC/N=C(\NCC(CC(C)C)N1CCOCC1)N1CCSC(C)(C)C1
InChIInChI=1S/C18H36N4OS/c1-15(2)12-16(21-6-9-23-10-7-21)13-20-17(19-5)22-8-11-24-18(3,4)14-22/h15-16H,6-14H2,1-5H3,(H,19,20)
InChIKeyGZJPOSSXLWEELS-UHFFFAOYSA-N
MW356.58 g/mol
LogP2.14
Rot. Bonds5

About N',2,2-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide

N',2,2-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide (PubChem CID 109487585) has the molecular formula C18H36N4OS and a molecular weight of 356.58 g/mol. Its IUPAC name is N',2,2-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN',2,2-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide
PubChem CID109487585
Molecular FormulaC18H36N4OS
Molecular Weight356.58 g/mol
Exact Mass356.26
IUPAC NameN',2,2-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide
SMILESC/N=C(\NCC(CC(C)C)N1CCOCC1)N1CCSC(C)(C)C1
InChIInChI=1S/C18H36N4OS/c1-15(2)12-16(21-6-9-23-10-7-21)13-20-17(19-5)22-8-11-24-18(3,4)14-22/h15-16H,6-14H2,1-5H3,(H,19,20)
InChIKeyGZJPOSSXLWEELS-UHFFFAOYSA-N
XLogP2.14
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 52.14
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',2,2-trimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide
CID 109489077
N-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109489849
N',2,2-trimethyl-N-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489734
N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727784
N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489262
N',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109487393
N-[[4-(dimethylamino)oxan-4-yl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109488051
N',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide
CID 109488612
N-(4-methyl-2-morpholin-4-ylpentyl)morpholine-4-carboxamide
CID 110403300
N',2,2-trimethyl-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109488100
N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111302332
N',2,2-trimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489652

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide?
The IUPAC name of N',2,2-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide (CID 109487585) is N',2,2-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for N',2,2-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for N',2,2-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide is C/N=C(\NCC(CC(C)C)N1CCOCC1)N1CCSC(C)(C)C1.
What is the InChIKey of N',2,2-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide?
The InChIKey is GZJPOSSXLWEELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4OS/c1-15(2)12-16(21-6-9-23-10-7-21)13-20-17(19-5)22-8-11-24-18(3,4)14-22/h15-16H,6-14H2,1-5H3,(H,19,20).
What are the key properties of N',2,2-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide?
N',2,2-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide has a molecular weight of 356.58 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109487585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).