3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide

C16H24FN2O4S+ — CID 4148314

IUPAC3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCC[NH+]1CCOCC1
InChIInChI=1S/C16H23FN2O4S/c17-15-4-2-1-3-14(15)13-24(21,22)12-5-16(20)18-6-7-19-8-10-23-11-9-19/h1-4H,5-13H2,(H,18,20)/p+1
InChIKeyZPKBTFDJWXXNPI-UHFFFAOYSA-O
MW359.44 g/mol
LogP-0.84
Rot. Bonds8

About 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide

3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide (PubChem CID 4148314) has the molecular formula C16H24FN2O4S+ and a molecular weight of 359.44 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide
PubChem CID4148314
Molecular FormulaC16H24FN2O4S+
Molecular Weight359.44 g/mol
Exact Mass359.14
IUPAC Name3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCC[NH+]1CCOCC1
InChIInChI=1S/C16H23FN2O4S/c17-15-4-2-1-3-14(15)13-24(21,22)12-5-16(20)18-6-7-19-8-10-23-11-9-19/h1-4H,5-13H2,(H,18,20)/p+1
InChIKeyZPKBTFDJWXXNPI-UHFFFAOYSA-O
XLogP-0.84
TPSA76.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide (CID 4148314) is 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide is O=C(CCS(=O)(=O)Cc1ccccc1F)NCC[NH+]1CCOCC1.
What is the InChIKey of 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide?
The InChIKey is ZPKBTFDJWXXNPI-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23FN2O4S/c17-15-4-2-1-3-14(15)13-24(21,22)12-5-16(20)18-6-7-19-8-10-23-11-9-19/h1-4H,5-13H2,(H,18,20)/p+1.
What are the key properties of 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide?
3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide has a molecular weight of 359.44 g/mol, XLogP of -0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide is sourced from PubChem (CID 4148314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).