lithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide

C16H23LiNO3S- — CID 165164955

IUPAClithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide
SMILES[CH2-]CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1.[Li+].[OH-]
InChIInChI=1S/C16H22NO2S.Li.H2O/c1-4-20-14-7-5-13(6-8-14)15(18)16(2,3)17-9-11-19-12-10-17;;/h5-8H,1,4,9-12H2,2-3H3;;1H2/q-1;+1;/p-1
InChIKeyGYKDVOCRXOLFBA-UHFFFAOYSA-M
MW316.37 g/mol
LogP-0.27
Rot. Bonds5

About lithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide

lithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide (PubChem CID 165164955) has the molecular formula C16H23LiNO3S- and a molecular weight of 316.37 g/mol. Its IUPAC name is lithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide.

Molecular Properties

Compound Namelithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide
PubChem CID165164955
Molecular FormulaC16H23LiNO3S-
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Namelithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide
SMILES[CH2-]CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1.[Li+].[OH-]
InChIInChI=1S/C16H22NO2S.Li.H2O/c1-4-20-14-7-5-13(6-8-14)15(18)16(2,3)17-9-11-19-12-10-17;;/h5-8H,1,4,9-12H2,2-3H3;;1H2/q-1;+1;/p-1
InChIKeyGYKDVOCRXOLFBA-UHFFFAOYSA-M
XLogP-0.27
TPSA59.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19879444
3-[methyl-[2-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylethyl]amino]propane-1-sulfonic acid
CID 118136936
S-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl] methanethioate
CID 87506630
2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one
CID 19879538
2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one
CID 58085412
2-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylethyl 2-methylprop-2-enoate
CID 23325645
2-[3-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylpropylsulfanylmethyl]prop-2-enoic acid
CID 18755071
2-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylbutanedioic acid
CID 144999377
2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one
CID 18755073
1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 129155311
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 139636623
2-methyl-2-morpholin-4-yl-1-(4-prop-2-enylsulfanylphenyl)pent-4-en-1-one
CID 66879855

Frequently Asked Questions

What is the IUPAC name of lithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide?
The IUPAC name of lithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide (CID 165164955) is lithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide.
What is the SMILES notation for lithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide?
The canonical SMILES for lithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide is [CH2-]CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1.[Li+].[OH-].
What is the InChIKey of lithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide?
The InChIKey is GYKDVOCRXOLFBA-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H22NO2S.Li.H2O/c1-4-20-14-7-5-13(6-8-14)15(18)16(2,3)17-9-11-19-12-10-17;;/h5-8H,1,4,9-12H2,2-3H3;;1H2/q-1;+1;/p-1.
What are the key properties of lithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide?
lithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide has a molecular weight of 316.37 g/mol, XLogP of -0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide is sourced from PubChem (CID 165164955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).