(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinylmethanimidamide

C10H15N3O2S — CID 141387149

IUPAC(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinylmethanimidamide
SMILES[H]/N=C(\N)S(=O)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C10H15N3O2S/c1-6-4-13-8(5-16(14)10(11)12)7(2)9(6)15-3/h4H,5H2,1-3H3,(H3,11,12)
InChIKeyDMBBLWDUJQBQEW-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.85
Rot. Bonds3

About (4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinylmethanimidamide

(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinylmethanimidamide (PubChem CID 141387149) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is (4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinylmethanimidamide.

Molecular Properties

Compound Name(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinylmethanimidamide
PubChem CID141387149
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinylmethanimidamide
SMILES[H]/N=C(\N)S(=O)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C10H15N3O2S/c1-6-4-13-8(5-16(14)10(11)12)7(2)9(6)15-3/h4H,5H2,1-3H3,(H3,11,12)
InChIKeyDMBBLWDUJQBQEW-UHFFFAOYSA-N
XLogP0.85
TPSA89.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.85
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'}

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinylmethanimidamide?
The IUPAC name of (4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinylmethanimidamide (CID 141387149) is (4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinylmethanimidamide.
What is the SMILES notation for (4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinylmethanimidamide?
The canonical SMILES for (4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinylmethanimidamide is [H]/N=C(\N)S(=O)Cc1ncc(C)c(OC)c1C.
What is the InChIKey of (4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinylmethanimidamide?
The InChIKey is DMBBLWDUJQBQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-6-4-13-8(5-16(14)10(11)12)7(2)9(6)15-3/h4H,5H2,1-3H3,(H3,11,12).
What are the key properties of (4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinylmethanimidamide?
(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinylmethanimidamide has a molecular weight of 241.32 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinylmethanimidamide is sourced from PubChem (CID 141387149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).