4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one

C9H10ClNO3S — CID 115102785

IUPAC4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one
SMILESO=C1COCC(CO)N1c1ccc(Cl)s1
InChIInChI=1S/C9H10ClNO3S/c10-7-1-2-9(15-7)11-6(3-12)4-14-5-8(11)13/h1-2,6,12H,3-5H2
InChIKeyHFRBURPEVUOZQS-UHFFFAOYSA-N
MW247.70 g/mol
LogP1.13
Rot. Bonds2

About 4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one

4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one (PubChem CID 115102785) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one
PubChem CID115102785
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC Name4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one
SMILESO=C1COCC(CO)N1c1ccc(Cl)s1
InChIInChI=1S/C9H10ClNO3S/c10-7-1-2-9(15-7)11-6(3-12)4-14-5-8(11)13/h1-2,6,12H,3-5H2
InChIKeyHFRBURPEVUOZQS-UHFFFAOYSA-N
XLogP1.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102818
4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one
CID 117009566
4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one
CID 117009573
4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one
CID 117009582
4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one
CID 117009643
5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 115102815
6-(hydroxymethyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-4-one
CID 164875999
4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one
CID 117009647
5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one
CID 115102593
4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102805
5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one
CID 115102814
5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one
CID 115060484

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one (CID 115102785) is 4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one is O=C1COCC(CO)N1c1ccc(Cl)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one?
The InChIKey is HFRBURPEVUOZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c10-7-1-2-9(15-7)11-6(3-12)4-14-5-8(11)13/h1-2,6,12H,3-5H2.
What are the key properties of 4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one?
4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one has a molecular weight of 247.70 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one is sourced from PubChem (CID 115102785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).