N'-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]thiomorpholine-4-carboximidamide;hydroiodide

C14H23IN4OS — CID 111800155

IUPACN'-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC(CO)Cc1ccccn1)N1CCSCC1
InChIInChI=1S/C14H22N4OS.HI/c15-14(18-5-7-20-8-6-18)17-10-12(11-19)9-13-3-1-2-4-16-13;/h1-4,12,19H,5-11H2,(H2,15,17);1H
InChIKeyNFNSEESIZHEOIT-UHFFFAOYSA-N
MW422.34 g/mol
LogP1.21
Rot. Bonds5

About N'-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111800155) has the molecular formula C14H23IN4OS and a molecular weight of 422.34 g/mol. Its IUPAC name is N'-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111800155
Molecular FormulaC14H23IN4OS
Molecular Weight422.34 g/mol
Exact Mass422.06
IUPAC NameN'-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC(CO)Cc1ccccn1)N1CCSCC1
InChIInChI=1S/C14H22N4OS.HI/c15-14(18-5-7-20-8-6-18)17-10-12(11-19)9-13-3-1-2-4-16-13;/h1-4,12,19H,5-11H2,(H2,15,17);1H
InChIKeyNFNSEESIZHEOIT-UHFFFAOYSA-N
XLogP1.21
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111058255
N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111029283
N'-(pyridin-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117111
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111801083
2-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111800117
N'-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111092213
N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111062706
N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide
CID 111043624
N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111028465
N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111041968
N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide
CID 111062149
N'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide
CID 111820650

Frequently Asked Questions

What is the IUPAC name of N'-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111800155) is N'-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CC(CO)Cc1ccccn1)N1CCSCC1.
What is the InChIKey of N'-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is NFNSEESIZHEOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS.HI/c15-14(18-5-7-20-8-6-18)17-10-12(11-19)9-13-3-1-2-4-16-13;/h1-4,12,19H,5-11H2,(H2,15,17);1H.
What are the key properties of N'-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 422.34 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111800155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).