4-(1-benzylsulfonyl-3,3-difluoroprop-1-en-2-yl)morpholine

C14H17F2NO3S — CID 23239329

IUPAC4-(1-benzylsulfonyl-3,3-difluoroprop-1-en-2-yl)morpholine
SMILESO=S(=O)(C=C(C(F)F)N1CCOCC1)Cc1ccccc1
InChIInChI=1S/C14H17F2NO3S/c15-14(16)13(17-6-8-20-9-7-17)11-21(18,19)10-12-4-2-1-3-5-12/h1-5,11,14H,6-10H2
InChIKeyWRMNGXYCLGMXEV-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.04
Rot. Bonds5

About 4-(1-benzylsulfonyl-3,3-difluoroprop-1-en-2-yl)morpholine

4-(1-benzylsulfonyl-3,3-difluoroprop-1-en-2-yl)morpholine (PubChem CID 23239329) has the molecular formula C14H17F2NO3S and a molecular weight of 317.36 g/mol. Its IUPAC name is 4-(1-benzylsulfonyl-3,3-difluoroprop-1-en-2-yl)morpholine.

Molecular Properties

Compound Name4-(1-benzylsulfonyl-3,3-difluoroprop-1-en-2-yl)morpholine
PubChem CID23239329
Molecular FormulaC14H17F2NO3S
Molecular Weight317.36 g/mol
Exact Mass317.09
IUPAC Name4-(1-benzylsulfonyl-3,3-difluoroprop-1-en-2-yl)morpholine
SMILESO=S(=O)(C=C(C(F)F)N1CCOCC1)Cc1ccccc1
InChIInChI=1S/C14H17F2NO3S/c15-14(16)13(17-6-8-20-9-7-17)11-21(18,19)10-12-4-2-1-3-5-12/h1-5,11,14H,6-10H2
InChIKeyWRMNGXYCLGMXEV-UHFFFAOYSA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R,4R)-4-benzylsulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid
CID 142763383
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide
CID 51087827
N'-(3-benzylsulfonylpropyl)morpholine-4-carboximidamide
CID 111065176
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
CID 40562536
2-(benzylamino)-1-morpholin-4-ylethanone
CID 23252432
[(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene
CID 6158098
CID 146162313
CID 146162313
2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one
CID 76792666
2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one
CID 62880416
[(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene
CID 121218492
N-[2-[4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-2,3-bis(trifluoromethyl)phenyl]sulfanylphenyl]-1-phenylmethanesulfonamide
CID 59006749

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylsulfonyl-3,3-difluoroprop-1-en-2-yl)morpholine?
The IUPAC name of 4-(1-benzylsulfonyl-3,3-difluoroprop-1-en-2-yl)morpholine (CID 23239329) is 4-(1-benzylsulfonyl-3,3-difluoroprop-1-en-2-yl)morpholine.
What is the SMILES notation for 4-(1-benzylsulfonyl-3,3-difluoroprop-1-en-2-yl)morpholine?
The canonical SMILES for 4-(1-benzylsulfonyl-3,3-difluoroprop-1-en-2-yl)morpholine is O=S(=O)(C=C(C(F)F)N1CCOCC1)Cc1ccccc1.
What is the InChIKey of 4-(1-benzylsulfonyl-3,3-difluoroprop-1-en-2-yl)morpholine?
The InChIKey is WRMNGXYCLGMXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3S/c15-14(16)13(17-6-8-20-9-7-17)11-21(18,19)10-12-4-2-1-3-5-12/h1-5,11,14H,6-10H2.
What are the key properties of 4-(1-benzylsulfonyl-3,3-difluoroprop-1-en-2-yl)morpholine?
4-(1-benzylsulfonyl-3,3-difluoroprop-1-en-2-yl)morpholine has a molecular weight of 317.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylsulfonyl-3,3-difluoroprop-1-en-2-yl)morpholine is sourced from PubChem (CID 23239329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).