5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one

C11H19NO3S — CID 115102759

IUPAC5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one
SMILESO=C1COCC(CO)N1CC1CCCSC1
InChIInChI=1S/C11H19NO3S/c13-5-10-6-15-7-11(14)12(10)4-9-2-1-3-16-8-9/h9-10,13H,1-8H2
InChIKeyFYYWVPRLUHVNRQ-UHFFFAOYSA-N
MW245.34 g/mol
LogP0.35
Rot. Bonds3

About 5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one

5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one (PubChem CID 115102759) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one
PubChem CID115102759
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one
SMILESO=C1COCC(CO)N1CC1CCCSC1
InChIInChI=1S/C11H19NO3S/c13-5-10-6-15-7-11(14)12(10)4-9-2-1-3-16-8-9/h9-10,13H,1-8H2
InChIKeyFYYWVPRLUHVNRQ-UHFFFAOYSA-N
XLogP0.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-4-[(1-methylpiperidin-4-yl)methyl]morpholin-3-one
CID 115102637
4-(hydroxymethyl)-3-(thiolan-3-ylmethyl)-1,3-oxazolidin-2-one
CID 115102359
5-(hydroxymethyl)-4-[(1-methylpiperidin-2-yl)methyl]morpholin-3-one
CID 115102740
5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one
CID 115102593
5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one
CID 115102750
5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one
CID 115102678
4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102818
4-(hydroxymethyl)-3-(thiolan-2-ylmethyl)-1,3-oxazolidin-2-one
CID 115102459
6-(hydroxymethyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-4-one
CID 164875999
5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 115102815
4-(hydroxymethyl)-3-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one
CID 115102357
4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102805

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one?
The IUPAC name of 5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one (CID 115102759) is 5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one.
What is the SMILES notation for 5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one?
The canonical SMILES for 5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one is O=C1COCC(CO)N1CC1CCCSC1.
What is the InChIKey of 5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one?
The InChIKey is FYYWVPRLUHVNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c13-5-10-6-15-7-11(14)12(10)4-9-2-1-3-16-8-9/h9-10,13H,1-8H2.
What are the key properties of 5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one?
5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one has a molecular weight of 245.34 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one is sourced from PubChem (CID 115102759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).