(4-sulfanylphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

C15H21NO2S — CID 107036706

IUPAC(4-sulfanylphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(S)cc2)CC(C)(C)O1
InChIInChI=1S/C15H21NO2S/c1-14(2)9-16(10-15(3,4)18-14)13(17)11-5-7-12(19)8-6-11/h5-8,19H,9-10H2,1-4H3
InChIKeyGSNUJLJQCUUNLH-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.00
Rot. Bonds1

About (4-sulfanylphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

(4-sulfanylphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (PubChem CID 107036706) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is (4-sulfanylphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-sulfanylphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
PubChem CID107036706
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name(4-sulfanylphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(S)cc2)CC(C)(C)O1
InChIInChI=1S/C15H21NO2S/c1-14(2)9-16(10-15(3,4)18-14)13(17)11-5-7-12(19)8-6-11/h5-8,19H,9-10H2,1-4H3
InChIKeyGSNUJLJQCUUNLH-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102737645
(6-hydrazinyl-3-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745686
(3-hydroxy-3-methylpiperidin-1-yl)-(4-sulfanylphenyl)methanone
CID 107036053
1-methyl-4-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyridin-2-one
CID 102737698
(4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743680
(4-hydroxy-4-methylazepan-1-yl)-(4-sulfanylphenyl)methanone
CID 107408930
(4-aminophenyl)-(3,3,4,4-tetramethylpyrrolidin-1-yl)methanone
CID 152910434
(2-amino-6-chloro-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102737678
2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid
CID 102745112
(2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102744843
(2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102742669
(4-amino-2-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745598

Frequently Asked Questions

What is the IUPAC name of (4-sulfanylphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The IUPAC name of (4-sulfanylphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (CID 107036706) is (4-sulfanylphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-sulfanylphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-sulfanylphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2ccc(S)cc2)CC(C)(C)O1.
What is the InChIKey of (4-sulfanylphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The InChIKey is GSNUJLJQCUUNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-14(2)9-16(10-15(3,4)18-14)13(17)11-5-7-12(19)8-6-11/h5-8,19H,9-10H2,1-4H3.
What are the key properties of (4-sulfanylphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
(4-sulfanylphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone has a molecular weight of 279.41 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-sulfanylphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is sourced from PubChem (CID 107036706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).