[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone

C14H19NO3S — CID 107036511

IUPAC[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone
SMILESCC1(C)CN(C(=O)c2ccccc2S)CC(CO)O1
InChIInChI=1S/C14H19NO3S/c1-14(2)9-15(7-10(8-16)18-14)13(17)11-5-3-4-6-12(11)19/h3-6,10,16,19H,7-9H2,1-2H3
InChIKeyKDVUZBKKUCJVEZ-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.59
Rot. Bonds2

About [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone

[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone (PubChem CID 107036511) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone.

Molecular Properties

Compound Name[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone
PubChem CID107036511
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone
SMILESCC1(C)CN(C(=O)c2ccccc2S)CC(CO)O1
InChIInChI=1S/C14H19NO3S/c1-14(2)9-15(7-10(8-16)18-14)13(17)11-5-3-4-6-12(11)19/h3-6,10,16,19H,7-9H2,1-2H3
InChIKeyKDVUZBKKUCJVEZ-UHFFFAOYSA-N
XLogP1.59
TPSA49.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid
CID 114776496
(2-ethoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778977
(2-chloro-5-sulfanylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 107036506
(2,4-diaminophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776081
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 114777165
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 114778406
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3-dihydroxyphenyl)methanone
CID 114781203
(5-amino-2-chlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776059
(4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780108
(2-bromo-5-methylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114777027
(2-amino-5-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776111
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
CID 104969794

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone?
The IUPAC name of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone (CID 107036511) is [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone.
What is the SMILES notation for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone?
The canonical SMILES for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone is CC1(C)CN(C(=O)c2ccccc2S)CC(CO)O1.
What is the InChIKey of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone?
The InChIKey is KDVUZBKKUCJVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-14(2)9-15(7-10(8-16)18-14)13(17)11-5-3-4-6-12(11)19/h3-6,10,16,19H,7-9H2,1-2H3.
What are the key properties of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone?
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone has a molecular weight of 281.38 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone is sourced from PubChem (CID 107036511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).