4-(5-methylthiophen-2-yl)azepane

C11H17NS — CID 83260945

IUPAC4-(5-methylthiophen-2-yl)azepane
SMILESCc1ccc(C2CCCNCC2)s1
InChIInChI=1S/C11H17NS/c1-9-4-5-11(13-9)10-3-2-7-12-8-6-10/h4-5,10,12H,2-3,6-8H2,1H3
InChIKeyYEAZMKZFTWBHPP-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.91
Rot. Bonds1

About 4-(5-methylthiophen-2-yl)azepane

4-(5-methylthiophen-2-yl)azepane (PubChem CID 83260945) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)azepane.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)azepane
PubChem CID83260945
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name4-(5-methylthiophen-2-yl)azepane
SMILESCc1ccc(C2CCCNCC2)s1
InChIInChI=1S/C11H17NS/c1-9-4-5-11(13-9)10-3-2-7-12-8-6-10/h4-5,10,12H,2-3,6-8H2,1H3
InChIKeyYEAZMKZFTWBHPP-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-methylthiophen-2-yl)azetidine
CID 130160315
(2R)-2-(5-methylthiophen-2-yl)piperidine
CID 7048171
2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene
CID 118423631
4-(4-cyclohexylphenyl)azepane
CID 82300190
2-(3,5-dimethylcyclohexyl)-5-methylthiophene
CID 140576019
3-(azepan-4-yl)-2-methyl-1H-indole
CID 82288280
4-(5-butan-2-ylthiophen-2-yl)piperidine
CID 83839286
4-[(5-methylthiophen-2-yl)methyl]piperidine
CID 83685814
4-(furan-3-yl)azepane
CID 83262129
4-(5-methylthiophen-2-yl)piperidine-3-carboxylic acid
CID 118691435
4-(2-fluoro-5-methylphenyl)azepane
CID 83262245
(4S)-4-(4-methoxyphenyl)azepane
CID 95439149

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)azepane?
The IUPAC name of 4-(5-methylthiophen-2-yl)azepane (CID 83260945) is 4-(5-methylthiophen-2-yl)azepane.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)azepane?
The canonical SMILES for 4-(5-methylthiophen-2-yl)azepane is Cc1ccc(C2CCCNCC2)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)azepane?
The InChIKey is YEAZMKZFTWBHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-9-4-5-11(13-9)10-3-2-7-12-8-6-10/h4-5,10,12H,2-3,6-8H2,1H3.
What are the key properties of 4-(5-methylthiophen-2-yl)azepane?
4-(5-methylthiophen-2-yl)azepane has a molecular weight of 195.33 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)azepane is sourced from PubChem (CID 83260945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).