2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile

C10H16N2O3S — CID 102934544

IUPAC2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile
SMILESCC1CN(C(=O)CSCC#N)CC(CO)O1
InChIInChI=1S/C10H16N2O3S/c1-8-4-12(5-9(6-13)15-8)10(14)7-16-3-2-11/h8-9,13H,3-7H2,1H3
InChIKeyUTJFILRLSAFQCV-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.15
Rot. Bonds4

About 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile

2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile (PubChem CID 102934544) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile.

Molecular Properties

Compound Name2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile
PubChem CID102934544
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile
SMILESCC1CN(C(=O)CSCC#N)CC(CO)O1
InChIInChI=1S/C10H16N2O3S/c1-8-4-12(5-9(6-13)15-8)10(14)7-16-3-2-11/h8-9,13H,3-7H2,1H3
InChIKeyUTJFILRLSAFQCV-UHFFFAOYSA-N
XLogP-0.15
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(propan-2-ylamino)ethanone
CID 102932666
5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938984
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934323
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one
CID 102934611
4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938983
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one
CID 107989722
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 102932290
1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102935864
3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102932658
(2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one
CID 102932602

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile?
The IUPAC name of 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile (CID 102934544) is 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile.
What is the SMILES notation for 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile?
The canonical SMILES for 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile is CC1CN(C(=O)CSCC#N)CC(CO)O1.
What is the InChIKey of 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile?
The InChIKey is UTJFILRLSAFQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-8-4-12(5-9(6-13)15-8)10(14)7-16-3-2-11/h8-9,13H,3-7H2,1H3.
What are the key properties of 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile?
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile has a molecular weight of 244.32 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile is sourced from PubChem (CID 102934544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).