N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide

C12H20N2O3S — CID 106003223

IUPACN-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1ccccc1COC
InChIInChI=1S/C12H20N2O3S/c1-13-8-5-9-18(15,16)14-12-7-4-3-6-11(12)10-17-2/h3-4,6-7,13-14H,5,8-10H2,1-2H3
InChIKeyJQBDGYGCBDCWRF-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.18
Rot. Bonds8

About N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide

N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide (PubChem CID 106003223) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide
PubChem CID106003223
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1ccccc1COC
InChIInChI=1S/C12H20N2O3S/c1-13-8-5-9-18(15,16)14-12-7-4-3-6-11(12)10-17-2/h3-4,6-7,13-14H,5,8-10H2,1-2H3
InChIKeyJQBDGYGCBDCWRF-UHFFFAOYSA-N
XLogP1.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
CID 106087001
N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide
CID 106003226
2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide
CID 54972159
4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide
CID 106003237
1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide
CID 63664132
3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide
CID 106003440
4-(methylamino)-N-[2-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 106057256
N-[3-(methoxymethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
CID 106002772
N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 114138792
3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide
CID 107591687
N-[2-(methoxymethyl)phenyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106003230
N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 106030648

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide?
The IUPAC name of N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide (CID 106003223) is N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide.
What is the SMILES notation for N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide?
The canonical SMILES for N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide is CNCCCS(=O)(=O)Nc1ccccc1COC.
What is the InChIKey of N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide?
The InChIKey is JQBDGYGCBDCWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-13-8-5-9-18(15,16)14-12-7-4-3-6-11(12)10-17-2/h3-4,6-7,13-14H,5,8-10H2,1-2H3.
What are the key properties of N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide?
N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide is sourced from PubChem (CID 106003223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).