1-cyclopropyl-1-methyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide

C11H23IN4O2S2 — CID 110031118

IUPAC1-cyclopropyl-1-methyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
SMILESCN(/C(N)=N/CCS(=O)(=O)N1CCSCC1)C1CC1.I
InChIInChI=1S/C11H22N4O2S2.HI/c1-14(10-2-3-10)11(12)13-4-9-19(16,17)15-5-7-18-8-6-15;/h10H,2-9H2,1H3,(H2,12,13);1H
InChIKeyGMUSQVZASVPBHI-UHFFFAOYSA-N
MW434.37 g/mol
LogP0.39
Rot. Bonds5

About 1-cyclopropyl-1-methyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide

1-cyclopropyl-1-methyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide (PubChem CID 110031118) has the molecular formula C11H23IN4O2S2 and a molecular weight of 434.37 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
PubChem CID110031118
Molecular FormulaC11H23IN4O2S2
Molecular Weight434.37 g/mol
Exact Mass434.03
IUPAC Name1-cyclopropyl-1-methyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
SMILESCN(/C(N)=N/CCS(=O)(=O)N1CCSCC1)C1CC1.I
InChIInChI=1S/C11H22N4O2S2.HI/c1-14(10-2-3-10)11(12)13-4-9-19(16,17)15-5-7-18-8-6-15;/h10H,2-9H2,1H3,(H2,12,13);1H
InChIKeyGMUSQVZASVPBHI-UHFFFAOYSA-N
XLogP0.39
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 50.39
H-Bond Donors ≤ 51
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

1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 119146990
1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111804807
1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 111804808
1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine
CID 110030617
ethyl 4-[[N'-(2-thiomorpholin-4-ylsulfonylethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111804766
4-(1,3-thiazol-2-yl)-N'-(2-thiomorpholin-4-ylsulfonylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111804825
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 110030278
1-ethyl-3-prop-2-enyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 136926198
1-cyclopropyl-1-methyl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
CID 110032359
1-ethyl-3-propan-2-yl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111833112
1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine
CID 110030051
1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 110030671

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-1-methyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide (CID 110031118) is 1-cyclopropyl-1-methyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide is CN(/C(N)=N/CCS(=O)(=O)N1CCSCC1)C1CC1.I.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
The InChIKey is GMUSQVZASVPBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S2.HI/c1-14(10-2-3-10)11(12)13-4-9-19(16,17)15-5-7-18-8-6-15;/h10H,2-9H2,1H3,(H2,12,13);1H.
What are the key properties of 1-cyclopropyl-1-methyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
1-cyclopropyl-1-methyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide has a molecular weight of 434.37 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110031118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).