2-propoxy-1-thiomorpholin-4-ylethanone

C9H17NO2S — CID 48677757

IUPAC2-propoxy-1-thiomorpholin-4-ylethanone
SMILESCCCOCC(=O)N1CCSCC1
InChIInChI=1S/C9H17NO2S/c1-2-5-12-8-9(11)10-3-6-13-7-4-10/h2-8H2,1H3
InChIKeyKREJCONKSGJMLV-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.99
Rot. Bonds4

About 2-propoxy-1-thiomorpholin-4-ylethanone

2-propoxy-1-thiomorpholin-4-ylethanone (PubChem CID 48677757) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-propoxy-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-propoxy-1-thiomorpholin-4-ylethanone
PubChem CID48677757
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name2-propoxy-1-thiomorpholin-4-ylethanone
SMILESCCCOCC(=O)N1CCSCC1
InChIInChI=1S/C9H17NO2S/c1-2-5-12-8-9(11)10-3-6-13-7-4-10/h2-8H2,1H3
InChIKeyKREJCONKSGJMLV-UHFFFAOYSA-N
XLogP0.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Cyclopropylmethoxy)-1-thiomorpholin-4-ylethanone
CID 51083009
1-(2,2-Dimethylmorpholin-4-yl)-2-(2-methoxyethylsulfanyl)ethanone
CID 45816513
N-methyl-2-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-ylpropanamide
CID 84592447
1-Thiomorpholin-4-yl-2-(2,2,2-trifluoroethoxy)ethanone
CID 53519814
2-(Difluoromethoxy)-1-(2-methylthiomorpholin-4-yl)ethanone
CID 126769533
2-Ethoxy-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
CID 56764609
2-Ethylsulfanyl-1-morpholin-4-ylethanone
CID 13539030
2-Methylsulfanyl-1-morpholin-4-ylethanone
CID 20552968
3-Butylsulfanyl-2-methyl-1-morpholin-4-ylpropan-1-one
CID 23534468
2-Tert-butylsulfanyl-1-morpholin-4-ylethanone
CID 45793840
2-Ethoxy-1-thiomorpholin-4-ylethanone
CID 53733688
1-Morpholin-4-yl-3-propan-2-ylsulfanylpropan-1-one
CID 53983185

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-propoxy-1-thiomorpholin-4-ylethanone (CID 48677757) is 2-propoxy-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-propoxy-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-propoxy-1-thiomorpholin-4-ylethanone is CCCOCC(=O)N1CCSCC1.
What is the InChIKey of 2-propoxy-1-thiomorpholin-4-ylethanone?
The InChIKey is KREJCONKSGJMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-2-5-12-8-9(11)10-3-6-13-7-4-10/h2-8H2,1H3.
What are the key properties of 2-propoxy-1-thiomorpholin-4-ylethanone?
2-propoxy-1-thiomorpholin-4-ylethanone has a molecular weight of 203.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 48677757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).