6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone

C13H21NOS — CID 71923474

IUPAC6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)C2C3CCCC32)CCS1
InChIInChI=1S/C13H21NOS/c1-13(2)8-14(6-7-16-13)12(15)11-9-4-3-5-10(9)11/h9-11H,3-8H2,1-2H3
InChIKeyCTFCKNYNLONWAS-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.39
Rot. Bonds1

About 6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone

6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone (PubChem CID 71923474) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone
PubChem CID71923474
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)C2C3CCCC32)CCS1
InChIInChI=1S/C13H21NOS/c1-13(2)8-14(6-7-16-13)12(15)11-9-4-3-5-10(9)11/h9-11H,3-8H2,1-2H3
InChIKeyCTFCKNYNLONWAS-UHFFFAOYSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone with MolForge

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Related Compounds

(2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
CID 119791833
(2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone
CID 115740257
aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
CID 130667355
(2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634101
(4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone
CID 120820176
(2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone
CID 128980849
azepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
CID 79600645
(2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one
CID 130736766
6-bicyclo[3.1.0]hexanyl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304314
2-bromo-1-(2,2-dimethylthiomorpholin-4-yl)propan-1-one
CID 107905824
(1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 115734565
1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119791856

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone (CID 71923474) is 6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone is CC1(C)CN(C(=O)C2C3CCCC32)CCS1.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone?
The InChIKey is CTFCKNYNLONWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-13(2)8-14(6-7-16-13)12(15)11-9-4-3-5-10(9)11/h9-11H,3-8H2,1-2H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone?
6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone has a molecular weight of 239.38 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 71923474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).