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

C10H17NO3S — CID 115102593

IUPAC5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one
SMILESO=C1COCC(CO)N1C1CCSCC1
InChIInChI=1S/C10H17NO3S/c12-5-9-6-14-7-10(13)11(9)8-1-3-15-4-2-8/h8-9,12H,1-7H2
InChIKeyPRLVBMYVZWKTSI-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.10
Rot. Bonds2

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

5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one (PubChem CID 115102593) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one
PubChem CID115102593
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one
SMILESO=C1COCC(CO)N1C1CCSCC1
InChIInChI=1S/C10H17NO3S/c12-5-9-6-14-7-10(13)11(9)8-1-3-15-4-2-8/h8-9,12H,1-7H2
InChIKeyPRLVBMYVZWKTSI-UHFFFAOYSA-N
XLogP0.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(hydroxymethyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-4-one
CID 164875999
4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102576
4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102659
5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one
CID 115102678
3-(4-cyclopropyl-5-oxomorpholin-3-yl)propanoic acid
CID 115060435
5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one
CID 115102759
5-(3-aminopropyl)-4-cyclopentylmorpholin-3-one
CID 115060442
4-(1,1-dioxothiolan-3-yl)-5-(2-hydroxyethyl)morpholin-3-one
CID 117009620
4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102785
5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one
CID 115102691
5-(hydroxymethyl)-4-[(1-methylpiperidin-4-yl)methyl]morpholin-3-one
CID 115102637
5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one
CID 115102568

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one?
The IUPAC name of 5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one (CID 115102593) is 5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one.
What is the SMILES notation for 5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one?
The canonical SMILES for 5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one is O=C1COCC(CO)N1C1CCSCC1.
What is the InChIKey of 5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one?
The InChIKey is PRLVBMYVZWKTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c12-5-9-6-14-7-10(13)11(9)8-1-3-15-4-2-8/h8-9,12H,1-7H2.
What are the key properties of 5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one?
5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one has a molecular weight of 231.32 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one is sourced from PubChem (CID 115102593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).