6-bicyclo[3.1.0]hexanyl-(5-methylthiophen-3-yl)methanone

C12H14OS — CID 114976121

IUPAC6-bicyclo[3.1.0]hexanyl-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)C2C3CCCC32)cs1
InChIInChI=1S/C12H14OS/c1-7-5-8(6-14-7)12(13)11-9-3-2-4-10(9)11/h5-6,9-11H,2-4H2,1H3
InChIKeyAGIBPJSWSCDTEV-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.29
Rot. Bonds2

About 6-bicyclo[3.1.0]hexanyl-(5-methylthiophen-3-yl)methanone

6-bicyclo[3.1.0]hexanyl-(5-methylthiophen-3-yl)methanone (PubChem CID 114976121) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(5-methylthiophen-3-yl)methanone
PubChem CID114976121
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name6-bicyclo[3.1.0]hexanyl-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)C2C3CCCC32)cs1
InChIInChI=1S/C12H14OS/c1-7-5-8(6-14-7)12(13)11-9-3-2-4-10(9)11/h5-6,9-11H,2-4H2,1H3
InChIKeyAGIBPJSWSCDTEV-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bicyclo[3.1.0]hexanyl-(5-methylthiophen-3-yl)methanone with MolForge

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Related Compounds

(3-amino-2-bicyclo[2.2.1]heptanyl)-(5-methylthiophen-3-yl)methanone
CID 116580928
(5-methylthiophen-3-yl)-piperidin-2-ylmethanone
CID 116547920
6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone
CID 114971615
3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one
CID 114975969
2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one
CID 103451508
2-amino-2-cyclopropyl-1-(5-methylthiophen-3-yl)propan-1-one
CID 116558651
3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone
CID 65407582
(3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone
CID 130877497
(1-aminocyclopentyl)-(5-methylthiophen-3-yl)methanone
CID 116558927
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 1247088
4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 166270100
(4-methylmorpholin-2-yl)-(5-methylthiophen-3-yl)methanone
CID 79077414

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(5-methylthiophen-3-yl)methanone?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(5-methylthiophen-3-yl)methanone (CID 114976121) is 6-bicyclo[3.1.0]hexanyl-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)C2C3CCCC32)cs1.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(5-methylthiophen-3-yl)methanone?
The InChIKey is AGIBPJSWSCDTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-7-5-8(6-14-7)12(13)11-9-3-2-4-10(9)11/h5-6,9-11H,2-4H2,1H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(5-methylthiophen-3-yl)methanone?
6-bicyclo[3.1.0]hexanyl-(5-methylthiophen-3-yl)methanone has a molecular weight of 206.31 g/mol, XLogP of 3.29, 2 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-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 114976121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).