[1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone

C15H23NOS — CID 79074712

IUPAC[1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)C2(N(C)C)CCCCCC2)cs1
InChIInChI=1S/C15H23NOS/c1-12-10-13(11-18-12)14(17)15(16(2)3)8-6-4-5-7-9-15/h10-11H,4-9H2,1-3H3
InChIKeyCWODZSOIZYKTRO-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.89
Rot. Bonds3

About [1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone

[1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone (PubChem CID 79074712) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is [1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone
PubChem CID79074712
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name[1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)C2(N(C)C)CCCCCC2)cs1
InChIInChI=1S/C15H23NOS/c1-12-10-13(11-18-12)14(17)15(16(2)3)8-6-4-5-7-9-15/h10-11H,4-9H2,1-3H3
InChIKeyCWODZSOIZYKTRO-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone?
The IUPAC name of [1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone (CID 79074712) is [1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for [1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for [1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)C2(N(C)C)CCCCCC2)cs1.
What is the InChIKey of [1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone?
The InChIKey is CWODZSOIZYKTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-12-10-13(11-18-12)14(17)15(16(2)3)8-6-4-5-7-9-15/h10-11H,4-9H2,1-3H3.
What are the key properties of [1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone?
[1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone has a molecular weight of 265.42 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 79074712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).