azepan-2-yl-(2-methylthiophen-3-yl)methanone

C12H17NOS — CID 102839506

IUPACazepan-2-yl-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)C1CCCCCN1
InChIInChI=1S/C12H17NOS/c1-9-10(6-8-15-9)12(14)11-5-3-2-4-7-13-11/h6,8,11,13H,2-5,7H2,1H3
InChIKeyLYILHQVGGRVZQT-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.77
Rot. Bonds2

About azepan-2-yl-(2-methylthiophen-3-yl)methanone

azepan-2-yl-(2-methylthiophen-3-yl)methanone (PubChem CID 102839506) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is azepan-2-yl-(2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Nameazepan-2-yl-(2-methylthiophen-3-yl)methanone
PubChem CID102839506
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Nameazepan-2-yl-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)C1CCCCCN1
InChIInChI=1S/C12H17NOS/c1-9-10(6-8-15-9)12(14)11-5-3-2-4-7-13-11/h6,8,11,13H,2-5,7H2,1H3
InChIKeyLYILHQVGGRVZQT-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone
CID 102839670
azepan-2-yl-(2,4-dimethylphenyl)methanone
CID 116582486
azepan-2-yl(thiophen-2-yl)methanone
CID 116582716
azepan-2-yl-(3-methylphenyl)methanone
CID 84683079
(5-methylthiophen-3-yl)-piperidin-2-ylmethanone
CID 116547920
(4-methyl-3-pyridinyl)-piperidin-2-ylmethanone
CID 116547900
azepan-2-yl-(3,4-dimethylphenyl)methanone
CID 116582591
1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone
CID 116547417
(3,5-dimethylphenyl)-piperidin-2-ylmethanone
CID 82285234
(2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone
CID 81473912
azepan-2-yl-(4-tert-butylphenyl)methanone
CID 70558460
phenyl(piperidin-2-yl)methanone
CID 19772085

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl-(2-methylthiophen-3-yl)methanone?
The IUPAC name of azepan-2-yl-(2-methylthiophen-3-yl)methanone (CID 102839506) is azepan-2-yl-(2-methylthiophen-3-yl)methanone.
What is the SMILES notation for azepan-2-yl-(2-methylthiophen-3-yl)methanone?
The canonical SMILES for azepan-2-yl-(2-methylthiophen-3-yl)methanone is Cc1sccc1C(=O)C1CCCCCN1.
What is the InChIKey of azepan-2-yl-(2-methylthiophen-3-yl)methanone?
The InChIKey is LYILHQVGGRVZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-10(6-8-15-9)12(14)11-5-3-2-4-7-13-11/h6,8,11,13H,2-5,7H2,1H3.
What are the key properties of azepan-2-yl-(2-methylthiophen-3-yl)methanone?
azepan-2-yl-(2-methylthiophen-3-yl)methanone has a molecular weight of 223.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl-(2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 102839506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).