N'-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide

C14H24IN5OS — CID 120972854

IUPACN'-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCn1nccc1[C@@H]1OCC[C@H]1C/N=C(\N)N1CCSCC1.I
InChIInChI=1S/C14H23N5OS.HI/c1-18-12(2-4-17-18)13-11(3-7-20-13)10-16-14(15)19-5-8-21-9-6-19;/h2,4,11,13H,3,5-10H2,1H3,(H2,15,16);1H/t11-,13+;/m0./s1
InChIKeyHNIFTQIBROLBOB-STEACBGWSA-N
MW437.35 g/mol
LogP1.48
Rot. Bonds3

About N'-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 120972854) has the molecular formula C14H24IN5OS and a molecular weight of 437.35 g/mol. Its IUPAC name is N'-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID120972854
Molecular FormulaC14H24IN5OS
Molecular Weight437.35 g/mol
Exact Mass437.07
IUPAC NameN'-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCn1nccc1[C@@H]1OCC[C@H]1C/N=C(\N)N1CCSCC1.I
InChIInChI=1S/C14H23N5OS.HI/c1-18-12(2-4-17-18)13-11(3-7-20-13)10-16-14(15)19-5-8-21-9-6-19;/h2,4,11,13H,3,5-10H2,1H3,(H2,15,16);1H/t11-,13+;/m0./s1
InChIKeyHNIFTQIBROLBOB-STEACBGWSA-N
XLogP1.48
TPSA68.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120671818
N'-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 120972934
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]guanidine
CID 120972845
N'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide
CID 122096030
1,2-dimethyl-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]guanidine
CID 120965775
3-methyl-N'-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]piperidine-1-carboximidamide
CID 122099290
N'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111075066
2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-propan-2-ylguanidine
CID 122082189
N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119118574
1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 128976235
N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 122096518
N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111802041

Frequently Asked Questions

What is the IUPAC name of N'-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 120972854) is N'-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide is Cn1nccc1[C@@H]1OCC[C@H]1C/N=C(\N)N1CCSCC1.I.
What is the InChIKey of N'-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is HNIFTQIBROLBOB-STEACBGWSA-N. The full InChI is InChI=1S/C14H23N5OS.HI/c1-18-12(2-4-17-18)13-11(3-7-20-13)10-16-14(15)19-5-8-21-9-6-19;/h2,4,11,13H,3,5-10H2,1H3,(H2,15,16);1H/t11-,13+;/m0./s1.
What are the key properties of N'-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 437.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120972854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).