azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone

C14H21NOS — CID 60634850

IUPACazepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
SMILESCCc1cc(C(=O)N2CCCCCC2)sc1C
InChIInChI=1S/C14H21NOS/c1-3-12-10-13(17-11(12)2)14(16)15-8-6-4-5-7-9-15/h10H,3-9H2,1-2H3
InChIKeyIGVPHNLKLWXHIG-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.64
Rot. Bonds2

About azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone

azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone (PubChem CID 60634850) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
PubChem CID60634850
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Nameazepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
SMILESCCc1cc(C(=O)N2CCCCCC2)sc1C
InChIInChI=1S/C14H21NOS/c1-3-12-10-13(17-11(12)2)14(16)15-8-6-4-5-7-9-15/h10H,3-9H2,1-2H3
InChIKeyIGVPHNLKLWXHIG-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone
CID 39959347
(4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 78785729
methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919176
(3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917459
(4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95758886
2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689218
(3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 34324943
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 55716288
[4-(3-chlorophenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 9146285
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 120806775
2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
CID 61009393
methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate
CID 51112610

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone?
The IUPAC name of azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone (CID 60634850) is azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone.
What is the SMILES notation for azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone?
The canonical SMILES for azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone is CCc1cc(C(=O)N2CCCCCC2)sc1C.
What is the InChIKey of azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone?
The InChIKey is IGVPHNLKLWXHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-3-12-10-13(17-11(12)2)14(16)15-8-6-4-5-7-9-15/h10H,3-9H2,1-2H3.
What are the key properties of azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone?
azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone has a molecular weight of 251.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 60634850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).