2-morpholin-2-yl-1-thiomorpholin-4-ylethanone

C10H18N2O2S — CID 66434733

IUPAC2-morpholin-2-yl-1-thiomorpholin-4-ylethanone
SMILESO=C(CC1CNCCO1)N1CCSCC1
InChIInChI=1S/C10H18N2O2S/c13-10(12-2-5-15-6-3-12)7-9-8-11-1-4-14-9/h9,11H,1-8H2
InChIKeyHKKQINKPUAJZAU-UHFFFAOYSA-N
MW230.33 g/mol
LogP-0.06
Rot. Bonds2

About 2-morpholin-2-yl-1-thiomorpholin-4-ylethanone

2-morpholin-2-yl-1-thiomorpholin-4-ylethanone (PubChem CID 66434733) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-morpholin-2-yl-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-morpholin-2-yl-1-thiomorpholin-4-ylethanone
PubChem CID66434733
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-morpholin-2-yl-1-thiomorpholin-4-ylethanone
SMILESO=C(CC1CNCCO1)N1CCSCC1
InChIInChI=1S/C10H18N2O2S/c13-10(12-2-5-15-6-3-12)7-9-8-11-1-4-14-9/h9,11H,1-8H2
InChIKeyHKKQINKPUAJZAU-UHFFFAOYSA-N
XLogP-0.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-morpholin-2-ylethanone
CID 66433560
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 107217362
1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119696186
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-morpholin-2-ylethanone
CID 66428289
2-[4-(2-morpholin-2-ylacetyl)thiomorpholin-3-yl]acetic acid
CID 66428343
1-(2-ethylmorpholin-4-yl)-2-morpholin-2-ylethanone
CID 66432993
N-methyl-1-(2-morpholin-2-ylacetyl)piperidine-4-carboxamide
CID 66433581
methyl 1-(2-morpholin-2-ylacetyl)piperidine-4-carboxylate
CID 66433180
1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone
CID 107404309
1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119781999
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119788325
1-(2-morpholin-2-ylacetyl)-4-propylpiperidine-4-carboxylic acid
CID 66427689

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-2-yl-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-morpholin-2-yl-1-thiomorpholin-4-ylethanone (CID 66434733) is 2-morpholin-2-yl-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-morpholin-2-yl-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-morpholin-2-yl-1-thiomorpholin-4-ylethanone is O=C(CC1CNCCO1)N1CCSCC1.
What is the InChIKey of 2-morpholin-2-yl-1-thiomorpholin-4-ylethanone?
The InChIKey is HKKQINKPUAJZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c13-10(12-2-5-15-6-3-12)7-9-8-11-1-4-14-9/h9,11H,1-8H2.
What are the key properties of 2-morpholin-2-yl-1-thiomorpholin-4-ylethanone?
2-morpholin-2-yl-1-thiomorpholin-4-ylethanone has a molecular weight of 230.33 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-2-yl-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 66434733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).