N-ethyl-N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide

C10H23FN2O2S — CID 88991535

IUPACN-ethyl-N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
SMILESCCN(CCN(CCF)C(C)C)S(C)(=O)=O
InChIInChI=1S/C10H23FN2O2S/c1-5-13(16(4,14)15)9-8-12(7-6-11)10(2)3/h10H,5-9H2,1-4H3
InChIKeyQRRNRBIOENWPBJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.95
Rot. Bonds8

About N-ethyl-N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide

N-ethyl-N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 88991535) has the molecular formula C10H23FN2O2S and a molecular weight of 254.37 g/mol. Its IUPAC name is N-ethyl-N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
PubChem CID88991535
Molecular FormulaC10H23FN2O2S
Molecular Weight254.37 g/mol
Exact Mass254.15
IUPAC NameN-ethyl-N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
SMILESCCN(CCN(CCF)C(C)C)S(C)(=O)=O
InChIInChI=1S/C10H23FN2O2S/c1-5-13(16(4,14)15)9-8-12(7-6-11)10(2)3/h10H,5-9H2,1-4H3
InChIKeyQRRNRBIOENWPBJ-UHFFFAOYSA-N
XLogP0.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide (CID 88991535) is N-ethyl-N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide is CCN(CCN(CCF)C(C)C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is QRRNRBIOENWPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23FN2O2S/c1-5-13(16(4,14)15)9-8-12(7-6-11)10(2)3/h10H,5-9H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
N-ethyl-N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 254.37 g/mol, XLogP of 0.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 88991535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).