2-(2-chloroethylsulfanyl)-1-morpholin-4-ylethanone

C8H14ClNO2S — CID 154116585

IUPAC2-(2-chloroethylsulfanyl)-1-morpholin-4-ylethanone
SMILESO=C(CSCCCl)N1CCOCC1
InChIInChI=1S/C8H14ClNO2S/c9-1-6-13-7-8(11)10-2-4-12-5-3-10/h1-7H2
InChIKeyRTLBIHRCKNQYBT-UHFFFAOYSA-N
MW223.72 g/mol
LogP0.82
Rot. Bonds4

About 2-(2-chloroethylsulfanyl)-1-morpholin-4-ylethanone

2-(2-chloroethylsulfanyl)-1-morpholin-4-ylethanone (PubChem CID 154116585) has the molecular formula C8H14ClNO2S and a molecular weight of 223.72 g/mol. Its IUPAC name is 2-(2-chloroethylsulfanyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-chloroethylsulfanyl)-1-morpholin-4-ylethanone
PubChem CID154116585
Molecular FormulaC8H14ClNO2S
Molecular Weight223.72 g/mol
Exact Mass223.04
IUPAC Name2-(2-chloroethylsulfanyl)-1-morpholin-4-ylethanone
SMILESO=C(CSCCCl)N1CCOCC1
InChIInChI=1S/C8H14ClNO2S/c9-1-6-13-7-8(11)10-2-4-12-5-3-10/h1-7H2
InChIKeyRTLBIHRCKNQYBT-UHFFFAOYSA-N
XLogP0.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.72
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(disulfanyl)-1-morpholin-4-ylethanone
CID 144729362
2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone
CID 66231125
2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone
CID 21435705
N-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 113238668
N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 43388901
N-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60700799
(2-morpholin-4-yl-2-oxoethyl)azanide;yttrium
CID 176949022
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 103895247
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 79031362
2-bromo-2,2-dideuterio-1-morpholin-4-ylethanone
CID 119030514
2-chloroacetyl chloride;dimorpholin-4-ylmethanone
CID 174889845
(2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 107833509

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethylsulfanyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-chloroethylsulfanyl)-1-morpholin-4-ylethanone (CID 154116585) is 2-(2-chloroethylsulfanyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-chloroethylsulfanyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-chloroethylsulfanyl)-1-morpholin-4-ylethanone is O=C(CSCCCl)N1CCOCC1.
What is the InChIKey of 2-(2-chloroethylsulfanyl)-1-morpholin-4-ylethanone?
The InChIKey is RTLBIHRCKNQYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2S/c9-1-6-13-7-8(11)10-2-4-12-5-3-10/h1-7H2.
What are the key properties of 2-(2-chloroethylsulfanyl)-1-morpholin-4-ylethanone?
2-(2-chloroethylsulfanyl)-1-morpholin-4-ylethanone has a molecular weight of 223.72 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethylsulfanyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 154116585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).