1-(2-cyclopropylsulfanylphenyl)-N-methoxymethanamine

C11H15NOS — CID 117299483

IUPAC1-(2-cyclopropylsulfanylphenyl)-N-methoxymethanamine
SMILESCONCc1ccccc1SC1CC1
InChIInChI=1S/C11H15NOS/c1-13-12-8-9-4-2-3-5-11(9)14-10-6-7-10/h2-5,10,12H,6-8H2,1H3
InChIKeyIFXMCXPKFMBJEC-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.59
Rot. Bonds5

About 1-(2-cyclopropylsulfanylphenyl)-N-methoxymethanamine

1-(2-cyclopropylsulfanylphenyl)-N-methoxymethanamine (PubChem CID 117299483) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(2-cyclopropylsulfanylphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2-cyclopropylsulfanylphenyl)-N-methoxymethanamine
PubChem CID117299483
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-(2-cyclopropylsulfanylphenyl)-N-methoxymethanamine
SMILESCONCc1ccccc1SC1CC1
InChIInChI=1S/C11H15NOS/c1-13-12-8-9-4-2-3-5-11(9)14-10-6-7-10/h2-5,10,12H,6-8H2,1H3
InChIKeyIFXMCXPKFMBJEC-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylsulfanylphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(2-cyclopropylsulfanylphenyl)-N-methoxymethanamine (CID 117299483) is 1-(2-cyclopropylsulfanylphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2-cyclopropylsulfanylphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(2-cyclopropylsulfanylphenyl)-N-methoxymethanamine is CONCc1ccccc1SC1CC1.
What is the InChIKey of 1-(2-cyclopropylsulfanylphenyl)-N-methoxymethanamine?
The InChIKey is IFXMCXPKFMBJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-13-12-8-9-4-2-3-5-11(9)14-10-6-7-10/h2-5,10,12H,6-8H2,1H3.
What are the key properties of 1-(2-cyclopropylsulfanylphenyl)-N-methoxymethanamine?
1-(2-cyclopropylsulfanylphenyl)-N-methoxymethanamine has a molecular weight of 209.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylsulfanylphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117299483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).