N-(2-morpholin-4-ylethyl)-3-phenylsulfanylpropanamide

C15H22N2O2S — CID 2226422

IUPACN-(2-morpholin-4-ylethyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCCN1CCOCC1
InChIInChI=1S/C15H22N2O2S/c18-15(6-13-20-14-4-2-1-3-5-14)16-7-8-17-9-11-19-12-10-17/h1-5H,6-13H2,(H,16,18)
InChIKeyLPPPDRPUTQRQEL-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.62
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-3-phenylsulfanylpropanamide

N-(2-morpholin-4-ylethyl)-3-phenylsulfanylpropanamide (PubChem CID 2226422) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-phenylsulfanylpropanamide
PubChem CID2226422
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(2-morpholin-4-ylethyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCCN1CCOCC1
InChIInChI=1S/C15H22N2O2S/c18-15(6-13-20-14-4-2-1-3-5-14)16-7-8-17-9-11-19-12-10-17/h1-5H,6-13H2,(H,16,18)
InChIKeyLPPPDRPUTQRQEL-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-phenylsulfanylpropanamide (CID 2226422) is N-(2-morpholin-4-ylethyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-phenylsulfanylpropanamide?
The InChIKey is LPPPDRPUTQRQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-15(6-13-20-14-4-2-1-3-5-14)16-7-8-17-9-11-19-12-10-17/h1-5H,6-13H2,(H,16,18).
What are the key properties of N-(2-morpholin-4-ylethyl)-3-phenylsulfanylpropanamide?
N-(2-morpholin-4-ylethyl)-3-phenylsulfanylpropanamide has a molecular weight of 294.42 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 2226422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).