2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride

C11H19FN2O3S — CID 154881359

IUPAC2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride
SMILESCC(C)C(C)N(CCS(=O)(=O)F)Cc1ccon1
InChIInChI=1S/C11H19FN2O3S/c1-9(2)10(3)14(5-7-18(12,15)16)8-11-4-6-17-13-11/h4,6,9-10H,5,7-8H2,1-3H3
InChIKeyWTTAYTDESCEDPD-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.82
Rot. Bonds7

About 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride

2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride (PubChem CID 154881359) has the molecular formula C11H19FN2O3S and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride
PubChem CID154881359
Molecular FormulaC11H19FN2O3S
Molecular Weight278.35 g/mol
Exact Mass278.11
IUPAC Name2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride
SMILESCC(C)C(C)N(CCS(=O)(=O)F)Cc1ccon1
InChIInChI=1S/C11H19FN2O3S/c1-9(2)10(3)14(5-7-18(12,15)16)8-11-4-6-17-13-11/h4,6,9-10H,5,7-8H2,1-3H3
InChIKeyWTTAYTDESCEDPD-UHFFFAOYSA-N
XLogP1.82
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride?
The IUPAC name of 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride (CID 154881359) is 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride.
What is the SMILES notation for 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride?
The canonical SMILES for 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride is CC(C)C(C)N(CCS(=O)(=O)F)Cc1ccon1.
What is the InChIKey of 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride?
The InChIKey is WTTAYTDESCEDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O3S/c1-9(2)10(3)14(5-7-18(12,15)16)8-11-4-6-17-13-11/h4,6,9-10H,5,7-8H2,1-3H3.
What are the key properties of 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride?
2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride has a molecular weight of 278.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride is sourced from PubChem (CID 154881359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).