N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide

C14H21FN2O3S — CID 56756954

IUPACN-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CN(Cc2ccccc2F)CCO1
InChIInChI=1S/C14H21FN2O3S/c1-21(18,19)16-7-6-13-11-17(8-9-20-13)10-12-4-2-3-5-14(12)15/h2-5,13,16H,6-11H2,1H3
InChIKeyMXBAHKMWAFCUGB-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.97
Rot. Bonds6

About N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide

N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide (PubChem CID 56756954) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide
PubChem CID56756954
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CN(Cc2ccccc2F)CCO1
InChIInChI=1S/C14H21FN2O3S/c1-21(18,19)16-7-6-13-11-17(8-9-20-13)10-12-4-2-3-5-14(12)15/h2-5,13,16H,6-11H2,1H3
InChIKeyMXBAHKMWAFCUGB-UHFFFAOYSA-N
XLogP0.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide (CID 56756954) is N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CN(Cc2ccccc2F)CCO1.
What is the InChIKey of N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide?
The InChIKey is MXBAHKMWAFCUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-21(18,19)16-7-6-13-11-17(8-9-20-13)10-12-4-2-3-5-14(12)15/h2-5,13,16H,6-11H2,1H3.
What are the key properties of N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide?
N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 56756954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).