N'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide

C12H25N5S — CID 119147573

IUPACN'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide
SMILESCN1CCN(C)C(C/N=C(\N)N2CCSCC2)C1
InChIInChI=1S/C12H25N5S/c1-15-3-4-16(2)11(10-15)9-14-12(13)17-5-7-18-8-6-17/h11H,3-10H2,1-2H3,(H2,13,14)
InChIKeyBJTWWMFUTRLXSU-UHFFFAOYSA-N
MW271.43 g/mol
LogP-0.40
Rot. Bonds2

About N'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide

N'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide (PubChem CID 119147573) has the molecular formula C12H25N5S and a molecular weight of 271.43 g/mol. Its IUPAC name is N'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide
PubChem CID119147573
Molecular FormulaC12H25N5S
Molecular Weight271.43 g/mol
Exact Mass271.18
IUPAC NameN'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide
SMILESCN1CCN(C)C(C/N=C(\N)N2CCSCC2)C1
InChIInChI=1S/C12H25N5S/c1-15-3-4-16(2)11(10-15)9-14-12(13)17-5-7-18-8-6-17/h11H,3-10H2,1-2H3,(H2,13,14)
InChIKeyBJTWWMFUTRLXSU-UHFFFAOYSA-N
XLogP-0.40
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 5-0.40
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'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111802041
N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119118574
1-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]guanidine;hydroiodide
CID 119147592
N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111803495
N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 119148504
N'-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111807637
N'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111090433
N'-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488054
4-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide
CID 110921095
N'-[3-(4-methyl-1,4-diazepan-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111091688
3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide
CID 111076809
tert-butyl 3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]pyrrolidine-1-carboxylate;hydroiodide
CID 110032289

Frequently Asked Questions

What is the IUPAC name of N'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide (CID 119147573) is N'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide is CN1CCN(C)C(C/N=C(\N)N2CCSCC2)C1.
What is the InChIKey of N'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide?
The InChIKey is BJTWWMFUTRLXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5S/c1-15-3-4-16(2)11(10-15)9-14-12(13)17-5-7-18-8-6-17/h11H,3-10H2,1-2H3,(H2,13,14).
What are the key properties of N'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide?
N'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide has a molecular weight of 271.43 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 119147573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).