4-(4-hydroxy-2-methylbutyl)thiomorpholine-3,5-dione

C9H15NO3S — CID 104570934

IUPAC4-(4-hydroxy-2-methylbutyl)thiomorpholine-3,5-dione
SMILESCC(CCO)CN1C(=O)CSCC1=O
InChIInChI=1S/C9H15NO3S/c1-7(2-3-11)4-10-8(12)5-14-6-9(10)13/h7,11H,2-6H2,1H3
InChIKeyRVZSWLNRUYECSC-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.11
Rot. Bonds4

About 4-(4-hydroxy-2-methylbutyl)thiomorpholine-3,5-dione

4-(4-hydroxy-2-methylbutyl)thiomorpholine-3,5-dione (PubChem CID 104570934) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 4-(4-hydroxy-2-methylbutyl)thiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-(4-hydroxy-2-methylbutyl)thiomorpholine-3,5-dione
PubChem CID104570934
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name4-(4-hydroxy-2-methylbutyl)thiomorpholine-3,5-dione
SMILESCC(CCO)CN1C(=O)CSCC1=O
InChIInChI=1S/C9H15NO3S/c1-7(2-3-11)4-10-8(12)5-14-6-9(10)13/h7,11H,2-6H2,1H3
InChIKeyRVZSWLNRUYECSC-UHFFFAOYSA-N
XLogP0.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxy-2-methylbutyl)piperidine-2,6-dione
CID 66107801
1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
CID 104550322
5-ethyl-2-(4-hydroxy-2-methylbutyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513192
4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione
CID 104570938
4-(2-cyclopropyl-2-hydroxyethyl)thiomorpholine-3,5-dione
CID 104570913
4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione
CID 113427947
3-bromo-1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
CID 66108240
3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol
CID 104550305
4-[2-(methylamino)ethyl]thiomorpholine-3,5-dione
CID 104570982
4-(2-aminoethyl)thiomorpholine-3,5-dione
CID 104570964
1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione
CID 30813187
3-(3-hydroxy-2-methylpropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 65036014

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-methylbutyl)thiomorpholine-3,5-dione?
The IUPAC name of 4-(4-hydroxy-2-methylbutyl)thiomorpholine-3,5-dione (CID 104570934) is 4-(4-hydroxy-2-methylbutyl)thiomorpholine-3,5-dione.
What is the SMILES notation for 4-(4-hydroxy-2-methylbutyl)thiomorpholine-3,5-dione?
The canonical SMILES for 4-(4-hydroxy-2-methylbutyl)thiomorpholine-3,5-dione is CC(CCO)CN1C(=O)CSCC1=O.
What is the InChIKey of 4-(4-hydroxy-2-methylbutyl)thiomorpholine-3,5-dione?
The InChIKey is RVZSWLNRUYECSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-7(2-3-11)4-10-8(12)5-14-6-9(10)13/h7,11H,2-6H2,1H3.
What are the key properties of 4-(4-hydroxy-2-methylbutyl)thiomorpholine-3,5-dione?
4-(4-hydroxy-2-methylbutyl)thiomorpholine-3,5-dione has a molecular weight of 217.29 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-methylbutyl)thiomorpholine-3,5-dione is sourced from PubChem (CID 104570934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).