N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide

C11H22IN3S — CID 119118574

IUPACN'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1CCCC1)N1CCSCC1
InChIInChI=1S/C11H21N3S.HI/c12-11(14-5-7-15-8-6-14)13-9-10-3-1-2-4-10;/h10H,1-9H2,(H2,12,13);1H
InChIKeyOHNZDDQBWZUWNI-UHFFFAOYSA-N
MW355.29 g/mol
LogP2.16
Rot. Bonds2

About N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide

N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 119118574) has the molecular formula C11H22IN3S and a molecular weight of 355.29 g/mol. Its IUPAC name is N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID119118574
Molecular FormulaC11H22IN3S
Molecular Weight355.29 g/mol
Exact Mass355.06
IUPAC NameN'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1CCCC1)N1CCSCC1
InChIInChI=1S/C11H21N3S.HI/c12-11(14-5-7-15-8-6-14)13-9-10-3-1-2-4-10;/h10H,1-9H2,(H2,12,13);1H
InChIKeyOHNZDDQBWZUWNI-UHFFFAOYSA-N
XLogP2.16
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111802041
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-cyclohexylethyl)thiomorpholine-4-carboximidamide
CID 111063496
N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111814755
N'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 119146805
N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111803495
N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 122096518
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
tert-butyl 3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]pyrrolidine-1-carboxylate;hydroiodide
CID 110032289
N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110018690
N'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide
CID 119147573

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide (CID 119118574) is N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CC1CCCC1)N1CCSCC1.
What is the InChIKey of N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is OHNZDDQBWZUWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S.HI/c12-11(14-5-7-15-8-6-14)13-9-10-3-1-2-4-10;/h10H,1-9H2,(H2,12,13);1H.
What are the key properties of N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide?
N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 355.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 119118574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).