N'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide

C7H17IN4O2S2 — CID 111046624

IUPACN'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCS(N)(=O)=O)N1CCSCC1
InChIInChI=1S/C7H16N4O2S2.HI/c8-7(10-1-6-15(9,12)13)11-2-4-14-5-3-11;/h1-6H2,(H2,8,10)(H2,9,12,13);1H
InChIKeyOFKRLXGKVONNNK-UHFFFAOYSA-N
MW380.28 g/mol
LogP-0.74
Rot. Bonds3

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

N'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111046624) has the molecular formula C7H17IN4O2S2 and a molecular weight of 380.28 g/mol. Its IUPAC name is N'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111046624
Molecular FormulaC7H17IN4O2S2
Molecular Weight380.28 g/mol
Exact Mass379.98
IUPAC NameN'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCS(N)(=O)=O)N1CCSCC1
InChIInChI=1S/C7H16N4O2S2.HI/c8-7(10-1-6-15(9,12)13)11-2-4-14-5-3-11;/h1-6H2,(H2,8,10)(H2,9,12,13);1H
InChIKeyOFKRLXGKVONNNK-UHFFFAOYSA-N
XLogP-0.74
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 5-0.74
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-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide
CID 111812180
N'-[2-(4-bromophenyl)sulfonylethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111807903
N'-[2-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide
CID 119164683
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111800807
4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111046626
N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110033020
3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 75493964
N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111024484
propan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide
CID 111037125
N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111087619
N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide
CID 111022719

Frequently Asked Questions

What is the IUPAC name of N'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide (CID 111046624) is N'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCS(N)(=O)=O)N1CCSCC1.
What is the InChIKey of N'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is OFKRLXGKVONNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2S2.HI/c8-7(10-1-6-15(9,12)13)11-2-4-14-5-3-11;/h1-6H2,(H2,8,10)(H2,9,12,13);1H.
What are the key properties of N'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide?
N'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 380.28 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111046624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).