N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide;hydroiodide

C10H20IN3S — CID 119120257

IUPACN'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESCC1(C)CC1/N=C(\N)N1CCSCC1.I
InChIInChI=1S/C10H19N3S.HI/c1-10(2)7-8(10)12-9(11)13-3-5-14-6-4-13;/h8H,3-7H2,1-2H3,(H2,11,12);1H
InChIKeyCLANRYIQBLTSGM-UHFFFAOYSA-N
MW341.26 g/mol
LogP1.77
Rot. Bonds1

About N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide;hydroiodide

N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 119120257) has the molecular formula C10H20IN3S and a molecular weight of 341.26 g/mol. Its IUPAC name is N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID119120257
Molecular FormulaC10H20IN3S
Molecular Weight341.26 g/mol
Exact Mass341.04
IUPAC NameN'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESCC1(C)CC1/N=C(\N)N1CCSCC1.I
InChIInChI=1S/C10H19N3S.HI/c1-10(2)7-8(10)12-9(11)13-3-5-14-6-4-13;/h8H,3-7H2,1-2H3,(H2,11,12);1H
InChIKeyCLANRYIQBLTSGM-UHFFFAOYSA-N
XLogP1.77
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 51.77
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'-(3-methoxy-2,2,3-trimethylcyclobutyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111823018
N'-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111815663
N'-(3-ethoxy-2,2-diethylcyclobutyl)thiomorpholine-4-carboximidamide
CID 111824153
N'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111810423
N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide
CID 75512573
[(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone
CID 130676353
N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110033020
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111085552
N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119118574
N'-cyclopentyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide
CID 107455922
N'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120606097

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide;hydroiodide (CID 119120257) is N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide;hydroiodide is CC1(C)CC1/N=C(\N)N1CCSCC1.I.
What is the InChIKey of N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is CLANRYIQBLTSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S.HI/c1-10(2)7-8(10)12-9(11)13-3-5-14-6-4-13;/h8H,3-7H2,1-2H3,(H2,11,12);1H.
What are the key properties of N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide;hydroiodide?
N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 341.26 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 119120257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).