cycloheptyl(thiomorpholin-4-yl)methanone

C12H21NOS — CID 71934333

IUPACcycloheptyl(thiomorpholin-4-yl)methanone
SMILESO=C(C1CCCCCC1)N1CCSCC1
InChIInChI=1S/C12H21NOS/c14-12(13-7-9-15-10-8-13)11-5-3-1-2-4-6-11/h11H,1-10H2
InChIKeyOXIKRMBWCFTKRC-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.53
Rot. Bonds1

About cycloheptyl(thiomorpholin-4-yl)methanone

cycloheptyl(thiomorpholin-4-yl)methanone (PubChem CID 71934333) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is cycloheptyl(thiomorpholin-4-yl)methanone.

Molecular Properties

Compound Namecycloheptyl(thiomorpholin-4-yl)methanone
PubChem CID71934333
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Namecycloheptyl(thiomorpholin-4-yl)methanone
SMILESO=C(C1CCCCCC1)N1CCSCC1
InChIInChI=1S/C12H21NOS/c14-12(13-7-9-15-10-8-13)11-5-3-1-2-4-6-11/h11H,1-10H2
InChIKeyOXIKRMBWCFTKRC-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl(1,4-thiazepan-4-yl)methanone
CID 60773784
cyclopentyl(1,3-thiazolidin-3-yl)methanone
CID 122331918
azepan-1-yl(thian-4-yl)methanone
CID 110856329
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
3-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63782956
pyrrolidin-1-yl-[(1S,2S)-2-(1,4-thiazepane-4-carbonyl)cyclohexyl]methanone
CID 96526393
cyclopentyl-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 71935072
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
4-(thiomorpholine-4-carbonyl)piperidine-1-sulfonamide
CID 47351910

Frequently Asked Questions

What is the IUPAC name of cycloheptyl(thiomorpholin-4-yl)methanone?
The IUPAC name of cycloheptyl(thiomorpholin-4-yl)methanone (CID 71934333) is cycloheptyl(thiomorpholin-4-yl)methanone.
What is the SMILES notation for cycloheptyl(thiomorpholin-4-yl)methanone?
The canonical SMILES for cycloheptyl(thiomorpholin-4-yl)methanone is O=C(C1CCCCCC1)N1CCSCC1.
What is the InChIKey of cycloheptyl(thiomorpholin-4-yl)methanone?
The InChIKey is OXIKRMBWCFTKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c14-12(13-7-9-15-10-8-13)11-5-3-1-2-4-6-11/h11H,1-10H2.
What are the key properties of cycloheptyl(thiomorpholin-4-yl)methanone?
cycloheptyl(thiomorpholin-4-yl)methanone has a molecular weight of 227.37 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl(thiomorpholin-4-yl)methanone is sourced from PubChem (CID 71934333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).