N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

C12H25IN4S — CID 111802041

IUPACN'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCN1CCCC(C/N=C(\N)N2CCSCC2)C1.I
InChIInChI=1S/C12H24N4S.HI/c1-15-4-2-3-11(10-15)9-14-12(13)16-5-7-17-8-6-16;/h11H,2-10H2,1H3,(H2,13,14);1H
InChIKeyKASIPHJNDPKZDK-UHFFFAOYSA-N
MW384.33 g/mol
LogP1.31
Rot. Bonds2

About N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111802041) has the molecular formula C12H25IN4S and a molecular weight of 384.33 g/mol. Its IUPAC name is N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111802041
Molecular FormulaC12H25IN4S
Molecular Weight384.33 g/mol
Exact Mass384.08
IUPAC NameN'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCN1CCCC(C/N=C(\N)N2CCSCC2)C1.I
InChIInChI=1S/C12H24N4S.HI/c1-15-4-2-3-11(10-15)9-14-12(13)16-5-7-17-8-6-16;/h11H,2-10H2,1H3,(H2,13,14);1H
InChIKeyKASIPHJNDPKZDK-UHFFFAOYSA-N
XLogP1.31
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119118574
N'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide
CID 119147573
N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 119148504
N'-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111807637
tert-butyl 3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]pyrrolidine-1-carboxylate;hydroiodide
CID 110032289
N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide
CID 111063496
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111802069
N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111814755
N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111803495
N'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 119146805
N'-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111092631
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111802070

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111802041) is N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is CN1CCCC(C/N=C(\N)N2CCSCC2)C1.I.
What is the InChIKey of N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is KASIPHJNDPKZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S.HI/c1-15-4-2-3-11(10-15)9-14-12(13)16-5-7-17-8-6-16;/h11H,2-10H2,1H3,(H2,13,14);1H.
What are the key properties of N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 384.33 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111802041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).