2-[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl methanesulfonate

C10H20FNO5S — CID 87645742

IUPAC2-[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl methanesulfonate
SMILESCC(C)(C)OC(=O)N(CCF)CCOS(C)(=O)=O
InChIInChI=1S/C10H20FNO5S/c1-10(2,3)17-9(13)12(6-5-11)7-8-16-18(4,14)15/h5-8H2,1-4H3
InChIKeyCWCLBJQUFLKUTG-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.17
Rot. Bonds6

About 2-[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl methanesulfonate

2-[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl methanesulfonate (PubChem CID 87645742) has the molecular formula C10H20FNO5S and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl methanesulfonate
PubChem CID87645742
Molecular FormulaC10H20FNO5S
Molecular Weight285.34 g/mol
Exact Mass285.10
IUPAC Name2-[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl methanesulfonate
SMILESCC(C)(C)OC(=O)N(CCF)CCOS(C)(=O)=O
InChIInChI=1S/C10H20FNO5S/c1-10(2,3)17-9(13)12(6-5-11)7-8-16-18(4,14)15/h5-8H2,1-4H3
InChIKeyCWCLBJQUFLKUTG-UHFFFAOYSA-N
XLogP1.17
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 3-(methanesulfonyloxy)azetidine-1-carboxylate
CID 10753243
Tert-butyl 4-(2-(methylsulfonyloxy)ethyl)piperazine-1-carboxylate
CID 22989493
3-[(2-Methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]propyl methanesulfonate
CID 88888550
tert-Butyl 3-fluoro-3-(((methylsulfonyl)oxy)methyl)azetidine-1-carboxylate
CID 89861661
Tert-butyl 3-fluoro-4-methylsulfonyloxypyrrolidine-1-carboxylate
CID 90155999
tert-Butyl (3S,4R)-3-fluoro-4-((methylsulfonyl)oxy)pyrrolidine-1-carboxylate
CID 90273953
tert-butyl (3R,4R)-3-fluoro-4-methylsulfonyloxy-pyrrolidine-1-carboxylate
CID 122530471
3-[(2-Fluoro-2-phosphanylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl methanesulfonate
CID 138648791
tert-Butyl (3S,4S)-3-fluoro-4-((methylsulfonyl)oxy)pyrrolidine-1-carboxylate
CID 171592812
[(2R)-1-[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propan-2-yl] methanesulfonate
CID 177367553
tert-butyl N-[2-(chlorosulfonyl)ethyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate
CID 165566341
tert-butyl N-[2-(fluorosulfonyl)ethyl]-N-(2-methoxyethyl)carbamate
CID 165870699

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl methanesulfonate?
The IUPAC name of 2-[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl methanesulfonate (CID 87645742) is 2-[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl methanesulfonate.
What is the SMILES notation for 2-[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl methanesulfonate?
The canonical SMILES for 2-[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl methanesulfonate is CC(C)(C)OC(=O)N(CCF)CCOS(C)(=O)=O.
What is the InChIKey of 2-[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl methanesulfonate?
The InChIKey is CWCLBJQUFLKUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO5S/c1-10(2,3)17-9(13)12(6-5-11)7-8-16-18(4,14)15/h5-8H2,1-4H3.
What are the key properties of 2-[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl methanesulfonate?
2-[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl methanesulfonate has a molecular weight of 285.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl methanesulfonate is sourced from PubChem (CID 87645742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).