N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide

C13H22N2O5S — CID 60909902

IUPACN-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide
SMILESCOc1ccc(OCC(O)CNCCNS(C)(=O)=O)cc1
InChIInChI=1S/C13H22N2O5S/c1-19-12-3-5-13(6-4-12)20-10-11(16)9-14-7-8-15-21(2,17)18/h3-6,11,14-16H,7-10H2,1-2H3
InChIKeyDZZSBRYSSRCCRJ-UHFFFAOYSA-N
MW318.39 g/mol
LogP-0.43
Rot. Bonds10

About N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide

N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide (PubChem CID 60909902) has the molecular formula C13H22N2O5S and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide
PubChem CID60909902
Molecular FormulaC13H22N2O5S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC NameN-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide
SMILESCOc1ccc(OCC(O)CNCCNS(C)(=O)=O)cc1
InChIInChI=1S/C13H22N2O5S/c1-19-12-3-5-13(6-4-12)20-10-11(16)9-14-7-8-15-21(2,17)18/h3-6,11,14-16H,7-10H2,1-2H3
InChIKeyDZZSBRYSSRCCRJ-UHFFFAOYSA-N
XLogP-0.43
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909620
4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol
CID 64913738
1-[3-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropoxy]-4-hydroxybenzene
CID 12681869
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
1-(4-methoxyphenoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63227399
methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate
CID 60904602
1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585709
1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 60635246
1-[2-(2-hydroxyethoxy)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 60633049
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
CID 6930429
N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide
CID 6930511
1-[2-(2,6-dichloroanilino)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110171574

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide (CID 60909902) is N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide is COc1ccc(OCC(O)CNCCNS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide?
The InChIKey is DZZSBRYSSRCCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-19-12-3-5-13(6-4-12)20-10-11(16)9-14-7-8-15-21(2,17)18/h3-6,11,14-16H,7-10H2,1-2H3.
What are the key properties of N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide?
N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide has a molecular weight of 318.39 g/mol, XLogP of -0.43, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 60909902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).