azetidin-2-yl(1,4-thiazepan-4-yl)methanone

C9H16N2OS — CID 130767550

IUPACazetidin-2-yl(1,4-thiazepan-4-yl)methanone
SMILESO=C(C1CCN1)N1CCCSCC1
InChIInChI=1S/C9H16N2OS/c12-9(8-2-3-10-8)11-4-1-6-13-7-5-11/h8,10H,1-7H2
InChIKeyYWTBOZYSDIUWPO-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.31
Rot. Bonds1

About azetidin-2-yl(1,4-thiazepan-4-yl)methanone

azetidin-2-yl(1,4-thiazepan-4-yl)methanone (PubChem CID 130767550) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is azetidin-2-yl(1,4-thiazepan-4-yl)methanone.

Molecular Properties

Compound Nameazetidin-2-yl(1,4-thiazepan-4-yl)methanone
PubChem CID130767550
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Nameazetidin-2-yl(1,4-thiazepan-4-yl)methanone
SMILESO=C(C1CCN1)N1CCCSCC1
InChIInChI=1S/C9H16N2OS/c12-9(8-2-3-10-8)11-4-1-6-13-7-5-11/h8,10H,1-7H2
InChIKeyYWTBOZYSDIUWPO-UHFFFAOYSA-N
XLogP0.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

[(2R)-piperidin-2-yl]-thiomorpholin-4-ylmethanone
CID 28787415
[(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 66548475
azepan-2-yl(thiomorpholin-4-yl)methanone
CID 64563385
cyclopropyl(1,4-thiazepan-4-yl)methanone
CID 60773784
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
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
pyrrolidin-1-yl-[(1S,2S)-2-(1,4-thiazepane-4-carbonyl)cyclohexyl]methanone
CID 96526393
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 127007570
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545

Frequently Asked Questions

What is the IUPAC name of azetidin-2-yl(1,4-thiazepan-4-yl)methanone?
The IUPAC name of azetidin-2-yl(1,4-thiazepan-4-yl)methanone (CID 130767550) is azetidin-2-yl(1,4-thiazepan-4-yl)methanone.
What is the SMILES notation for azetidin-2-yl(1,4-thiazepan-4-yl)methanone?
The canonical SMILES for azetidin-2-yl(1,4-thiazepan-4-yl)methanone is O=C(C1CCN1)N1CCCSCC1.
What is the InChIKey of azetidin-2-yl(1,4-thiazepan-4-yl)methanone?
The InChIKey is YWTBOZYSDIUWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c12-9(8-2-3-10-8)11-4-1-6-13-7-5-11/h8,10H,1-7H2.
What are the key properties of azetidin-2-yl(1,4-thiazepan-4-yl)methanone?
azetidin-2-yl(1,4-thiazepan-4-yl)methanone has a molecular weight of 200.31 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-2-yl(1,4-thiazepan-4-yl)methanone is sourced from PubChem (CID 130767550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).