methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]acetate

C6H10F3NO5S — CID 103834044

IUPACmethyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO5S/c1-15-5(12)3-16(13,14)10-2-4(11)6(7,8)9/h4,10-11H,2-3H2,1H3
InChIKeyAVEGWYKSMSEUBO-UHFFFAOYSA-N
MW265.21 g/mol
LogP-1.00
Rot. Bonds5

About methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]acetate

methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]acetate (PubChem CID 103834044) has the molecular formula C6H10F3NO5S and a molecular weight of 265.21 g/mol. Its IUPAC name is methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]acetate
PubChem CID103834044
Molecular FormulaC6H10F3NO5S
Molecular Weight265.21 g/mol
Exact Mass265.02
IUPAC Namemethyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO5S/c1-15-5(12)3-16(13,14)10-2-4(11)6(7,8)9/h4,10-11H,2-3H2,1H3
InChIKeyAVEGWYKSMSEUBO-UHFFFAOYSA-N
XLogP-1.00
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-(Propan-2-yloxy)ethanesulfonamido)acetic acid
CID 72110930
3-Amino-2-(2,2,2-trifluoroacetyl)oxypropane-1-sulfonic acid
CID 11680388
2-[2-(2,2,2-Trifluoroethoxy)ethylsulfamoyl]acetic acid
CID 63827503
2-[2-(2,2,2-Trifluoroethoxy)ethylsulfamoyl]propanoic acid
CID 63827853
3-[2-(2,2,2-Trifluoroethoxy)ethylsulfamoyl]propanoic acid
CID 63828921
4,4,4-trifluoro-N-(2-hydroxypropyl)butane-1-sulfonamide
CID 82903697
4,4,4-trifluoro-N-[(2S)-2-hydroxypropyl]butane-1-sulfonamide
CID 83058621
4,4,4-trifluoro-N-[(2R)-2-hydroxypropyl]butane-1-sulfonamide
CID 83059811
3-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propane-1-sulfonamide
CID 103727763
N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide
CID 103731723
N-(3,3-difluoro-2-hydroxypropyl)butane-1-sulfonamide
CID 103731724
N-(3,3-difluoro-2-hydroxypropyl)-2-methoxyethanesulfonamide
CID 103731725

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]acetate?
The IUPAC name of methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]acetate (CID 103834044) is methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]acetate?
The canonical SMILES for methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]acetate is COC(=O)CS(=O)(=O)NCC(O)C(F)(F)F.
What is the InChIKey of methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]acetate?
The InChIKey is AVEGWYKSMSEUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO5S/c1-15-5(12)3-16(13,14)10-2-4(11)6(7,8)9/h4,10-11H,2-3H2,1H3.
What are the key properties of methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]acetate?
methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]acetate has a molecular weight of 265.21 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]acetate is sourced from PubChem (CID 103834044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).