N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide

C12H19FN2O4S — CID 60909620

IUPACN-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C12H19FN2O4S/c1-20(17,18)15-7-6-14-8-11(16)9-19-12-4-2-10(13)3-5-12/h2-5,11,14-16H,6-9H2,1H3
InChIKeyRVWLSDKHIZTXFD-UHFFFAOYSA-N
MW306.36 g/mol
LogP-0.30
Rot. Bonds9

About N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide

N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide (PubChem CID 60909620) has the molecular formula C12H19FN2O4S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide
PubChem CID60909620
Molecular FormulaC12H19FN2O4S
Molecular Weight306.36 g/mol
Exact Mass306.10
IUPAC NameN-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C12H19FN2O4S/c1-20(17,18)15-7-6-14-8-11(16)9-19-12-4-2-10(13)3-5-12/h2-5,11,14-16H,6-9H2,1H3
InChIKeyRVWLSDKHIZTXFD-UHFFFAOYSA-N
XLogP-0.30
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide
CID 60909902
3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83113487
N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938767
1-[3-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropoxy]-4-hydroxybenzene
CID 12681869
1-(4-fluorophenoxy)-3-(3-phenylbutylamino)propan-2-ol
CID 119142093
N-[4-[(2R)-3-[2-(3,4-difluoroanilino)ethylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide
CID 67250300
6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851729
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479
1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 60632924
1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 115519141
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909218

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide (CID 60909620) is N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNCC(O)COc1ccc(F)cc1.
What is the InChIKey of N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide?
The InChIKey is RVWLSDKHIZTXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O4S/c1-20(17,18)15-7-6-14-8-11(16)9-19-12-4-2-10(13)3-5-12/h2-5,11,14-16H,6-9H2,1H3.
What are the key properties of N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide?
N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide has a molecular weight of 306.36 g/mol, XLogP of -0.30, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 60909620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).