N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]morpholine-4-carboxamide

C14H19FN2O2S — CID 71855699

IUPACN-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]morpholine-4-carboxamide
SMILESCSCc1cc(F)ccc1CNC(=O)N1CCOCC1
InChIInChI=1S/C14H19FN2O2S/c1-20-10-12-8-13(15)3-2-11(12)9-16-14(18)17-4-6-19-7-5-17/h2-3,8H,4-7,9-10H2,1H3,(H,16,18)
InChIKeyORLCGIQRHIZKTF-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.23
Rot. Bonds4

About N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]morpholine-4-carboxamide

N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]morpholine-4-carboxamide (PubChem CID 71855699) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]morpholine-4-carboxamide
PubChem CID71855699
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC NameN-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]morpholine-4-carboxamide
SMILESCSCc1cc(F)ccc1CNC(=O)N1CCOCC1
InChIInChI=1S/C14H19FN2O2S/c1-20-10-12-8-13(15)3-2-11(12)9-16-14(18)17-4-6-19-7-5-17/h2-3,8H,4-7,9-10H2,1H3,(H,16,18)
InChIKeyORLCGIQRHIZKTF-UHFFFAOYSA-N
XLogP2.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylmorpholine-4-carboxamide
CID 760018
N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide
CID 831447
1-[(4-Fluorophenyl)methyl]-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 53532634
1-[(4-Fluorophenyl)methyl]-1-methyl-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 53535086
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 71855554
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71921472
5,8-difluoro-N-[2-(2-methoxyethoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71923072
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 71971902
1-[1-(4-Fluorophenyl)ethyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
CID 71990752
1-[1-(3,4-Difluorophenyl)ethyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
CID 71990756
N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113036

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]morpholine-4-carboxamide (CID 71855699) is N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]morpholine-4-carboxamide is CSCc1cc(F)ccc1CNC(=O)N1CCOCC1.
What is the InChIKey of N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is ORLCGIQRHIZKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c1-20-10-12-8-13(15)3-2-11(12)9-16-14(18)17-4-6-19-7-5-17/h2-3,8H,4-7,9-10H2,1H3,(H,16,18).
What are the key properties of N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]morpholine-4-carboxamide?
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 298.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 71855699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).