cycloheptyl(thiomorpholin-3-yl)methanone

C12H21NOS — CID 116609701

IUPACcycloheptyl(thiomorpholin-3-yl)methanone
SMILESO=C(C1CCCCCC1)C1CSCCN1
InChIInChI=1S/C12H21NOS/c14-12(11-9-15-8-7-13-11)10-5-3-1-2-4-6-10/h10-11,13H,1-9H2
InChIKeyMVETVSWHBFFGCX-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.23
Rot. Bonds2

About cycloheptyl(thiomorpholin-3-yl)methanone

cycloheptyl(thiomorpholin-3-yl)methanone (PubChem CID 116609701) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is cycloheptyl(thiomorpholin-3-yl)methanone.

Molecular Properties

Compound Namecycloheptyl(thiomorpholin-3-yl)methanone
PubChem CID116609701
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Namecycloheptyl(thiomorpholin-3-yl)methanone
SMILESO=C(C1CCCCCC1)C1CSCCN1
InChIInChI=1S/C12H21NOS/c14-12(11-9-15-8-7-13-11)10-5-3-1-2-4-6-10/h10-11,13H,1-9H2
InChIKeyMVETVSWHBFFGCX-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl(thiomorpholin-3-yl)methanone?
The IUPAC name of cycloheptyl(thiomorpholin-3-yl)methanone (CID 116609701) is cycloheptyl(thiomorpholin-3-yl)methanone.
What is the SMILES notation for cycloheptyl(thiomorpholin-3-yl)methanone?
The canonical SMILES for cycloheptyl(thiomorpholin-3-yl)methanone is O=C(C1CCCCCC1)C1CSCCN1.
What is the InChIKey of cycloheptyl(thiomorpholin-3-yl)methanone?
The InChIKey is MVETVSWHBFFGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c14-12(11-9-15-8-7-13-11)10-5-3-1-2-4-6-10/h10-11,13H,1-9H2.
What are the key properties of cycloheptyl(thiomorpholin-3-yl)methanone?
cycloheptyl(thiomorpholin-3-yl)methanone has a molecular weight of 227.37 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl(thiomorpholin-3-yl)methanone is sourced from PubChem (CID 116609701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).