2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide

C7H15N3O2S2 — CID 66382204

IUPAC2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C7H15N3O2S2/c1-14(11,12)7-5-13-3-2-10(7)4-6(8)9/h7H,2-5H2,1H3,(H3,8,9)
InChIKeyWICKJYDZQVAGPG-UHFFFAOYSA-N
MW237.35 g/mol
LogP-0.66
Rot. Bonds3

About 2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide

2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide (PubChem CID 66382204) has the molecular formula C7H15N3O2S2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide.

Molecular Properties

Compound Name2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide
PubChem CID66382204
Molecular FormulaC7H15N3O2S2
Molecular Weight237.35 g/mol
Exact Mass237.06
IUPAC Name2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C7H15N3O2S2/c1-14(11,12)7-5-13-3-2-10(7)4-6(8)9/h7H,2-5H2,1H3,(H3,8,9)
InChIKeyWICKJYDZQVAGPG-UHFFFAOYSA-N
XLogP-0.66
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide
CID 66382008
3-(3-methylsulfonylthiomorpholin-4-yl)pentanimidamide
CID 66382205
3,3,3-trifluoro-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]propanimidamide
CID 103370778
N-(diaminomethylidene)-3-methylsulfonylthiomorpholine-4-carboximidamide
CID 83035120
2,2-dimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-imine
CID 66381738
3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine
CID 66381906
4-(3-bromopropyl)-3-methylsulfonylthiomorpholine
CID 66383009
methyl 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoate
CID 66384715
1-bromo-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol
CID 112561758
2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid
CID 66382213
1-(furan-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 66382608
1-(4-methoxyphenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 66384341

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide?
The IUPAC name of 2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide (CID 66382204) is 2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide.
What is the SMILES notation for 2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide?
The canonical SMILES for 2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide is [H]/N=C(\N)CN1CCSCC1S(C)(=O)=O.
What is the InChIKey of 2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide?
The InChIKey is WICKJYDZQVAGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S2/c1-14(11,12)7-5-13-3-2-10(7)4-6(8)9/h7H,2-5H2,1H3,(H3,8,9).
What are the key properties of 2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide?
2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide has a molecular weight of 237.35 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide is sourced from PubChem (CID 66382204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).