N-[(4-benzylsulfonylmorpholin-3-yl)methyl]prop-2-enamide

C15H20N2O4S — CID 172889650

IUPACN-[(4-benzylsulfonylmorpholin-3-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCC1COCCN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H20N2O4S/c1-2-15(18)16-10-14-11-21-9-8-17(14)22(19,20)12-13-6-4-3-5-7-13/h2-7,14H,1,8-12H2,(H,16,18)
InChIKeyPPHODRIXUAWNCE-UHFFFAOYSA-N
MW324.40 g/mol
LogP0.52
Rot. Bonds6

About N-[(4-benzylsulfonylmorpholin-3-yl)methyl]prop-2-enamide

N-[(4-benzylsulfonylmorpholin-3-yl)methyl]prop-2-enamide (PubChem CID 172889650) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[(4-benzylsulfonylmorpholin-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(4-benzylsulfonylmorpholin-3-yl)methyl]prop-2-enamide
PubChem CID172889650
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-[(4-benzylsulfonylmorpholin-3-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCC1COCCN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H20N2O4S/c1-2-15(18)16-10-14-11-21-9-8-17(14)22(19,20)12-13-6-4-3-5-7-13/h2-7,14H,1,8-12H2,(H,16,18)
InChIKeyPPHODRIXUAWNCE-UHFFFAOYSA-N
XLogP0.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one
CID 14320533
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide
CID 110345614
N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide
CID 167927460
(4-benzylmorpholin-3-yl)methylcarbamic acid
CID 21104643
3-benzyl-4-propylsulfonylmorpholine
CID 110749966
4-[(3-ethylmorpholin-4-yl)sulfonylmethyl]aniline
CID 43611643
4-(morpholin-4-ylsulfonylmethyl)-N-(2-phenylethyl)benzamide
CID 92678255
N-[6-[[4-[(2-phenylacetyl)amino]phenyl]methylsulfonyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]prop-2-enamide
CID 89236037
N-[1-[[4-[(2-phenylacetyl)amino]phenyl]methylsulfonyl]azetidin-3-yl]prop-2-enamide
CID 89236641
6-(1-benzylsulfonylpyrrolidin-2-yl)-N-ethylhexanamide
CID 20718946
N-[3-[[4-[(2-phenylacetyl)amino]phenyl]methylsulfonyl]-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide
CID 89237338
2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8694091

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylsulfonylmorpholin-3-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(4-benzylsulfonylmorpholin-3-yl)methyl]prop-2-enamide (CID 172889650) is N-[(4-benzylsulfonylmorpholin-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(4-benzylsulfonylmorpholin-3-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(4-benzylsulfonylmorpholin-3-yl)methyl]prop-2-enamide is C=CC(=O)NCC1COCCN1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[(4-benzylsulfonylmorpholin-3-yl)methyl]prop-2-enamide?
The InChIKey is PPHODRIXUAWNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-2-15(18)16-10-14-11-21-9-8-17(14)22(19,20)12-13-6-4-3-5-7-13/h2-7,14H,1,8-12H2,(H,16,18).
What are the key properties of N-[(4-benzylsulfonylmorpholin-3-yl)methyl]prop-2-enamide?
N-[(4-benzylsulfonylmorpholin-3-yl)methyl]prop-2-enamide has a molecular weight of 324.40 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylsulfonylmorpholin-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 172889650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).