1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone

C9H16N2OS — CID 130547018

IUPAC1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCC1
InChIInChI=1S/C9H16N2OS/c12-9(11-3-1-4-11)6-8-7-13-5-2-10-8/h8,10H,1-7H2
InChIKeyXKZZSPFJTQYIQI-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.31
Rot. Bonds2

About 1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone

1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone (PubChem CID 130547018) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
PubChem CID130547018
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCC1
InChIInChI=1S/C9H16N2OS/c12-9(11-3-1-4-11)6-8-7-13-5-2-10-8/h8,10H,1-7H2
InChIKeyXKZZSPFJTQYIQI-UHFFFAOYSA-N
XLogP0.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-(4-acetyl-1,4-diazepan-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934846
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941928
1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 119938389
1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941029
1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66421814
1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422913
2-thiomorpholin-3-yl-1-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 119937336
1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420113
N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide
CID 66420072
1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420291

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone (CID 130547018) is 1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone is O=C(CC1CSCCN1)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone?
The InChIKey is XKZZSPFJTQYIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c12-9(11-3-1-4-11)6-8-7-13-5-2-10-8/h8,10H,1-7H2.
What are the key properties of 1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone?
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone has a molecular weight of 200.31 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 130547018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).