azocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone

C15H23NOS — CID 6468462

IUPACazocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone
SMILESCCc1c(C(=O)N2CCCCCCC2)csc1C
InChIInChI=1S/C15H23NOS/c1-3-13-12(2)18-11-14(13)15(17)16-9-7-5-4-6-8-10-16/h11H,3-10H2,1-2H3
InChIKeyZFTDMSFWMXRPKS-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.03
Rot. Bonds2

About azocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone

azocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone (PubChem CID 6468462) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is azocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone
PubChem CID6468462
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Nameazocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone
SMILESCCc1c(C(=O)N2CCCCCCC2)csc1C
InChIInChI=1S/C15H23NOS/c1-3-13-12(2)18-11-14(13)15(17)16-9-7-5-4-6-8-10-16/h11H,3-10H2,1-2H3
InChIKeyZFTDMSFWMXRPKS-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethyl-5-methylthiophen-3-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 28850329
[2-(4-ethyl-5-methylthiophene-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-spiro[2.3]hexan-2-ylmethanone
CID 154856123
azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 60634850
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 91953868
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 110696169
(4-methyl-1,3-thiazol-2-yl)-piperidin-1-ylmethanone
CID 67514784
(5-methyl-4-phenylthiophen-3-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 135119045
N-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-ethyl-5-methylthiophene-3-carboxamide
CID 17250414
(4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone
CID 110761639
azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone?
The IUPAC name of azocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone (CID 6468462) is azocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone.
What is the SMILES notation for azocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone?
The canonical SMILES for azocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone is CCc1c(C(=O)N2CCCCCCC2)csc1C.
What is the InChIKey of azocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone?
The InChIKey is ZFTDMSFWMXRPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-13-12(2)18-11-14(13)15(17)16-9-7-5-4-6-8-10-16/h11H,3-10H2,1-2H3.
What are the key properties of azocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone?
azocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone has a molecular weight of 265.42 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 6468462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).