azepan-2-yl(thiomorpholin-4-yl)methanone

C11H20N2OS — CID 64563385

IUPACazepan-2-yl(thiomorpholin-4-yl)methanone
SMILESO=C(C1CCCCCN1)N1CCSCC1
InChIInChI=1S/C11H20N2OS/c14-11(13-6-8-15-9-7-13)10-4-2-1-3-5-12-10/h10,12H,1-9H2
InChIKeyRCKGHPJJUJBJEA-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.09
Rot. Bonds1

About azepan-2-yl(thiomorpholin-4-yl)methanone

azepan-2-yl(thiomorpholin-4-yl)methanone (PubChem CID 64563385) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is azepan-2-yl(thiomorpholin-4-yl)methanone.

Molecular Properties

Compound Nameazepan-2-yl(thiomorpholin-4-yl)methanone
PubChem CID64563385
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Nameazepan-2-yl(thiomorpholin-4-yl)methanone
SMILESO=C(C1CCCCCN1)N1CCSCC1
InChIInChI=1S/C11H20N2OS/c14-11(13-6-8-15-9-7-13)10-4-2-1-3-5-12-10/h10,12H,1-9H2
InChIKeyRCKGHPJJUJBJEA-UHFFFAOYSA-N
XLogP1.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-piperidin-2-yl]-thiomorpholin-4-ylmethanone
CID 28787415
[(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 66548475
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
azetidin-2-yl(1,4-thiazepan-4-yl)methanone
CID 130767550
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
1,2,5-dithiazepan-5-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 131153732
[(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrochloride
CID 70088371
azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone
CID 64570539
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl(thiomorpholin-4-yl)methanone?
The IUPAC name of azepan-2-yl(thiomorpholin-4-yl)methanone (CID 64563385) is azepan-2-yl(thiomorpholin-4-yl)methanone.
What is the SMILES notation for azepan-2-yl(thiomorpholin-4-yl)methanone?
The canonical SMILES for azepan-2-yl(thiomorpholin-4-yl)methanone is O=C(C1CCCCCN1)N1CCSCC1.
What is the InChIKey of azepan-2-yl(thiomorpholin-4-yl)methanone?
The InChIKey is RCKGHPJJUJBJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c14-11(13-6-8-15-9-7-13)10-4-2-1-3-5-12-10/h10,12H,1-9H2.
What are the key properties of azepan-2-yl(thiomorpholin-4-yl)methanone?
azepan-2-yl(thiomorpholin-4-yl)methanone has a molecular weight of 228.36 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl(thiomorpholin-4-yl)methanone is sourced from PubChem (CID 64563385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).