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

C15H30N4OS — CID 111041535

IUPACN'-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide
SMILESCC(C)CC(C/N=C(\N)N1CCSCC1)N1CCOCC1
InChIInChI=1S/C15H30N4OS/c1-13(2)11-14(18-3-7-20-8-4-18)12-17-15(16)19-5-9-21-10-6-19/h13-14H,3-12H2,1-2H3,(H2,16,17)
InChIKeyNAQOBDPLFUSDLW-UHFFFAOYSA-N
MW314.50 g/mol
LogP1.10
Rot. Bonds5

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

N'-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide (PubChem CID 111041535) has the molecular formula C15H30N4OS and a molecular weight of 314.50 g/mol. Its IUPAC name is N'-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide
PubChem CID111041535
Molecular FormulaC15H30N4OS
Molecular Weight314.50 g/mol
Exact Mass314.21
IUPAC NameN'-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide
SMILESCC(C)CC(C/N=C(\N)N1CCSCC1)N1CCOCC1
InChIInChI=1S/C15H30N4OS/c1-13(2)11-14(18-3-7-20-8-4-18)12-17-15(16)19-5-9-21-10-6-19/h13-14H,3-12H2,1-2H3,(H2,16,17)
InChIKeyNAQOBDPLFUSDLW-UHFFFAOYSA-N
XLogP1.10
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 51.10
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'-(4-methyl-2-morpholin-4-ylpentyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111041544
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111041553
N'-(2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
CID 111055185
N'-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111041798
N'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111090433
2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111041502
1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111041494
(2R)-4-methyl-2-thiomorpholin-4-ylpentan-1-ol
CID 172588652
N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111024484
N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide
CID 111090365
4-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919840
1-ethyl-3-(3-methylbutan-2-yl)-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111002772

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide?
The IUPAC name of N'-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide (CID 111041535) is N'-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide is CC(C)CC(C/N=C(\N)N1CCSCC1)N1CCOCC1.
What is the InChIKey of N'-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide?
The InChIKey is NAQOBDPLFUSDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4OS/c1-13(2)11-14(18-3-7-20-8-4-18)12-17-15(16)19-5-9-21-10-6-19/h13-14H,3-12H2,1-2H3,(H2,16,17).
What are the key properties of N'-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide?
N'-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide has a molecular weight of 314.50 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111041535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).