N-methoxy-1-[4-(oxetan-3-ylsulfonyl)phenyl]methanamine

C11H15NO4S — CID 117396417

IUPACN-methoxy-1-[4-(oxetan-3-ylsulfonyl)phenyl]methanamine
SMILESCONCc1ccc(S(=O)(=O)C2COC2)cc1
InChIInChI=1S/C11H15NO4S/c1-15-12-6-9-2-4-10(5-3-9)17(13,14)11-7-16-8-11/h2-5,11-12H,6-8H2,1H3
InChIKeyWPGFUANHGOVZOU-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.51
Rot. Bonds5

About N-methoxy-1-[4-(oxetan-3-ylsulfonyl)phenyl]methanamine

N-methoxy-1-[4-(oxetan-3-ylsulfonyl)phenyl]methanamine (PubChem CID 117396417) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-methoxy-1-[4-(oxetan-3-ylsulfonyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methoxy-1-[4-(oxetan-3-ylsulfonyl)phenyl]methanamine
PubChem CID117396417
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC NameN-methoxy-1-[4-(oxetan-3-ylsulfonyl)phenyl]methanamine
SMILESCONCc1ccc(S(=O)(=O)C2COC2)cc1
InChIInChI=1S/C11H15NO4S/c1-15-12-6-9-2-4-10(5-3-9)17(13,14)11-7-16-8-11/h2-5,11-12H,6-8H2,1H3
InChIKeyWPGFUANHGOVZOU-UHFFFAOYSA-N
XLogP0.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-1-[4-(oxetan-3-ylmethyl)phenyl]methanamine
CID 115004660
[4-(oxan-3-ylsulfonyl)phenyl]methanamine
CID 154464885
3-amino-3-[4-(oxetan-3-ylsulfonyl)phenyl]propanoic acid
CID 117459435
1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine
CID 117355562
imino-[4-(2-methylpropyl)phenyl]-(oxetan-3-yl)-oxo-λ6-sulfane
CID 167337245
1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine
CID 117279581
4-[4-(bromomethyl)phenyl]sulfonyloxane
CID 69403919
1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296328
1-cyclopentylsulfonyl-4-pentylbenzene
CID 173140440
methyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate
CID 110790737
N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine
CID 23499567
1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 82706582

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[4-(oxetan-3-ylsulfonyl)phenyl]methanamine?
The IUPAC name of N-methoxy-1-[4-(oxetan-3-ylsulfonyl)phenyl]methanamine (CID 117396417) is N-methoxy-1-[4-(oxetan-3-ylsulfonyl)phenyl]methanamine.
What is the SMILES notation for N-methoxy-1-[4-(oxetan-3-ylsulfonyl)phenyl]methanamine?
The canonical SMILES for N-methoxy-1-[4-(oxetan-3-ylsulfonyl)phenyl]methanamine is CONCc1ccc(S(=O)(=O)C2COC2)cc1.
What is the InChIKey of N-methoxy-1-[4-(oxetan-3-ylsulfonyl)phenyl]methanamine?
The InChIKey is WPGFUANHGOVZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-15-12-6-9-2-4-10(5-3-9)17(13,14)11-7-16-8-11/h2-5,11-12H,6-8H2,1H3.
What are the key properties of N-methoxy-1-[4-(oxetan-3-ylsulfonyl)phenyl]methanamine?
N-methoxy-1-[4-(oxetan-3-ylsulfonyl)phenyl]methanamine has a molecular weight of 257.31 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[4-(oxetan-3-ylsulfonyl)phenyl]methanamine is sourced from PubChem (CID 117396417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).