1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine

C11H15NO3S — CID 117355562

IUPAC1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine
SMILESCONCc1ccccc1S(=O)(=O)C1CC1
InChIInChI=1S/C11H15NO3S/c1-15-12-8-9-4-2-3-5-11(9)16(13,14)10-6-7-10/h2-5,10,12H,6-8H2,1H3
InChIKeyJSXZAROKELQFOI-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.27
Rot. Bonds5

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

1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine (PubChem CID 117355562) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine
PubChem CID117355562
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine
SMILESCONCc1ccccc1S(=O)(=O)C1CC1
InChIInChI=1S/C11H15NO3S/c1-15-12-8-9-4-2-3-5-11(9)16(13,14)10-6-7-10/h2-5,10,12H,6-8H2,1H3
InChIKeyJSXZAROKELQFOI-UHFFFAOYSA-N
XLogP1.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine
CID 117441204
(2-cyclobutylsulfonylphenyl)methanol
CID 84690547
N-methoxy-1-(2-piperidin-4-ylphenyl)methanamine
CID 117314747
methyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate
CID 117428957
1-(2-cyclopropylsulfanylphenyl)-N-methoxymethanamine
CID 117299483
2-cyclopropylsulfonylbenzaldehyde
CID 84677789
1-[2-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296327
1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine
CID 117475097
3-(2-cyclobutylsulfonylphenyl)propanoic acid
CID 117424665
1-[2-(1,1-dioxothietan-3-yl)oxyphenyl]-N-methoxymethanamine
CID 117396419
N-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine
CID 115005293
N-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine
CID 117391546

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine (CID 117355562) is 1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine is CONCc1ccccc1S(=O)(=O)C1CC1.
What is the InChIKey of 1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine?
The InChIKey is JSXZAROKELQFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-15-12-8-9-4-2-3-5-11(9)16(13,14)10-6-7-10/h2-5,10,12H,6-8H2,1H3.
What are the key properties of 1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine?
1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine has a molecular weight of 241.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117355562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).