cyclobutyl(thiomorpholin-4-yl)methanone

C9H15NOS — CID 15132484

IUPACcyclobutyl(thiomorpholin-4-yl)methanone
SMILESO=C(C1CCC1)N1CCSCC1
InChIInChI=1S/C9H15NOS/c11-9(8-2-1-3-8)10-4-6-12-7-5-10/h8H,1-7H2
InChIKeyDTWDOONPHVUYAG-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.36
Rot. Bonds1

About cyclobutyl(thiomorpholin-4-yl)methanone

cyclobutyl(thiomorpholin-4-yl)methanone (PubChem CID 15132484) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is cyclobutyl(thiomorpholin-4-yl)methanone.

Molecular Properties

Compound Namecyclobutyl(thiomorpholin-4-yl)methanone
PubChem CID15132484
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Namecyclobutyl(thiomorpholin-4-yl)methanone
SMILESO=C(C1CCC1)N1CCSCC1
InChIInChI=1S/C9H15NOS/c11-9(8-2-1-3-8)10-4-6-12-7-5-10/h8H,1-7H2
InChIKeyDTWDOONPHVUYAG-UHFFFAOYSA-N
XLogP1.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Cyclobutanecarbonyl-1lambda6-thiomorpholine-1,1-dione
CID 110721426
4-(3,3-Difluorocyclobutanecarbonyl)thiomorpholine
CID 154575332
4,4-Dimethyl-1-thiomorpholin-4-ylpentan-1-one
CID 21060378
3-Methyl-1-(1-methylthiomorpholin-1-ium-4-yl)butan-1-one
CID 21345370
3-Methyl-1-thiomorpholin-4-ylbutan-1-one
CID 21345372
6-Ethylsulfanyl-1,4-dimethylpiperidin-2-one
CID 53759774
1-Thiomorpholin-4-ylpentan-1-one
CID 53922296
2-Methyl-1-thiomorpholin-4-ylbutan-1-one
CID 57071342
2,2,4-Trimethyl-1-thiomorpholin-4-ylpentan-1-one
CID 57700545
4-Methyl-1-thiomorpholin-4-ylpentan-1-one
CID 58449972
(1-Ethylcyclobutyl)-thiomorpholin-4-ylmethanone
CID 68248751
3,3-Dimethyl-1-thiomorpholin-4-ylpentan-1-one
CID 68249529

Frequently Asked Questions

What is the IUPAC name of cyclobutyl(thiomorpholin-4-yl)methanone?
The IUPAC name of cyclobutyl(thiomorpholin-4-yl)methanone (CID 15132484) is cyclobutyl(thiomorpholin-4-yl)methanone.
What is the SMILES notation for cyclobutyl(thiomorpholin-4-yl)methanone?
The canonical SMILES for cyclobutyl(thiomorpholin-4-yl)methanone is O=C(C1CCC1)N1CCSCC1.
What is the InChIKey of cyclobutyl(thiomorpholin-4-yl)methanone?
The InChIKey is DTWDOONPHVUYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c11-9(8-2-1-3-8)10-4-6-12-7-5-10/h8H,1-7H2.
What are the key properties of cyclobutyl(thiomorpholin-4-yl)methanone?
cyclobutyl(thiomorpholin-4-yl)methanone has a molecular weight of 185.29 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(thiomorpholin-4-yl)methanone is sourced from PubChem (CID 15132484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).