2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide

C9H19N3O2S2 — CID 66382008

IUPAC2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C9H19N3O2S2/c1-7(9(10)11)5-12-3-4-15-6-8(12)16(2,13)14/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyOESWNQRHOJNKHS-UHFFFAOYSA-N
MW265.40 g/mol
LogP-0.02
Rot. Bonds4

About 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide

2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide (PubChem CID 66382008) has the molecular formula C9H19N3O2S2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide.

Molecular Properties

Compound Name2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide
PubChem CID66382008
Molecular FormulaC9H19N3O2S2
Molecular Weight265.40 g/mol
Exact Mass265.09
IUPAC Name2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C9H19N3O2S2/c1-7(9(10)11)5-12-3-4-15-6-8(12)16(2,13)14/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyOESWNQRHOJNKHS-UHFFFAOYSA-N
XLogP-0.02
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 5-0.02
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

3,3,3-trifluoro-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]propanimidamide
CID 103370778
methyl 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoate
CID 66384715
2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide
CID 66382204
3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine
CID 66381906
1-bromo-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol
CID 112561758
4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66382570
3-(3-methylsulfonylthiomorpholin-4-yl)pentanimidamide
CID 66382205
(2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine
CID 112736888
N-(diaminomethylidene)-3-methylsulfonylthiomorpholine-4-carboximidamide
CID 83035120
4-amino-2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-1-one
CID 80544886
2-methyl-3-(2-methylpiperidin-1-yl)propanimidamide
CID 43367810
2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine
CID 66383750

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide?
The IUPAC name of 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide (CID 66382008) is 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide.
What is the SMILES notation for 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide?
The canonical SMILES for 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide is [H]/N=C(\N)C(C)CN1CCSCC1S(C)(=O)=O.
What is the InChIKey of 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide?
The InChIKey is OESWNQRHOJNKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S2/c1-7(9(10)11)5-12-3-4-15-6-8(12)16(2,13)14/h7-8H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide?
2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide has a molecular weight of 265.40 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide is sourced from PubChem (CID 66382008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).