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

C13H21FN2O3S — CID 154879637

IUPAC2-[(2-methylcyclohexyl)-(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride
SMILESCC1CCCCC1N(CCS(=O)(=O)F)Cc1ccon1
InChIInChI=1S/C13H21FN2O3S/c1-11-4-2-3-5-13(11)16(7-9-20(14,17)18)10-12-6-8-19-15-12/h6,8,11,13H,2-5,7,9-10H2,1H3
InChIKeyTYKDBKYTAGHWQM-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.35
Rot. Bonds6

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

2-[(2-methylcyclohexyl)-(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride (PubChem CID 154879637) has the molecular formula C13H21FN2O3S and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)-(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)-(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride
PubChem CID154879637
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Name2-[(2-methylcyclohexyl)-(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride
SMILESCC1CCCCC1N(CCS(=O)(=O)F)Cc1ccon1
InChIInChI=1S/C13H21FN2O3S/c1-11-4-2-3-5-13(11)16(7-9-20(14,17)18)10-12-6-8-19-15-12/h6,8,11,13H,2-5,7,9-10H2,1H3
InChIKeyTYKDBKYTAGHWQM-UHFFFAOYSA-N
XLogP2.35
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)-(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride?
The IUPAC name of 2-[(2-methylcyclohexyl)-(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride (CID 154879637) is 2-[(2-methylcyclohexyl)-(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride.
What is the SMILES notation for 2-[(2-methylcyclohexyl)-(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride?
The canonical SMILES for 2-[(2-methylcyclohexyl)-(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride is CC1CCCCC1N(CCS(=O)(=O)F)Cc1ccon1.
What is the InChIKey of 2-[(2-methylcyclohexyl)-(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride?
The InChIKey is TYKDBKYTAGHWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c1-11-4-2-3-5-13(11)16(7-9-20(14,17)18)10-12-6-8-19-15-12/h6,8,11,13H,2-5,7,9-10H2,1H3.
What are the key properties of 2-[(2-methylcyclohexyl)-(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride?
2-[(2-methylcyclohexyl)-(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride has a molecular weight of 304.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)-(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride is sourced from PubChem (CID 154879637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).