2-methyl-2-(2-thiophen-3-ylethyl)azepane

C13H21NS — CID 79117598

IUPAC2-methyl-2-(2-thiophen-3-ylethyl)azepane
SMILESCC1(CCc2ccsc2)CCCCCN1
InChIInChI=1S/C13H21NS/c1-13(7-3-2-4-9-14-13)8-5-12-6-10-15-11-12/h6,10-11,14H,2-5,7-9H2,1H3
InChIKeyJHVPPTVAQJRKAO-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.60
Rot. Bonds3

About 2-methyl-2-(2-thiophen-3-ylethyl)azepane

2-methyl-2-(2-thiophen-3-ylethyl)azepane (PubChem CID 79117598) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-methyl-2-(2-thiophen-3-ylethyl)azepane.

Molecular Properties

Compound Name2-methyl-2-(2-thiophen-3-ylethyl)azepane
PubChem CID79117598
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-methyl-2-(2-thiophen-3-ylethyl)azepane
SMILESCC1(CCc2ccsc2)CCCCCN1
InChIInChI=1S/C13H21NS/c1-13(7-3-2-4-9-14-13)8-5-12-6-10-15-11-12/h6,10-11,14H,2-5,7-9H2,1H3
InChIKeyJHVPPTVAQJRKAO-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(2-phenylethyl)azepane
CID 79118526
1-(2-thiophen-3-ylethyl)cyclopropan-1-amine
CID 66025535
1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 116570036
1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone
CID 116569506
2-propyl-2-thiophen-3-ylazepane
CID 79117212
2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64832567
1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one
CID 114972116
1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol
CID 115798476
3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene
CID 116540728
2-(furan-3-ylmethyl)-2-methylazepane
CID 83182751
8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64877949
4-methyl-N-(2-thiophen-3-ylethyl)piperidine-4-carboxamide
CID 63122358

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-thiophen-3-ylethyl)azepane?
The IUPAC name of 2-methyl-2-(2-thiophen-3-ylethyl)azepane (CID 79117598) is 2-methyl-2-(2-thiophen-3-ylethyl)azepane.
What is the SMILES notation for 2-methyl-2-(2-thiophen-3-ylethyl)azepane?
The canonical SMILES for 2-methyl-2-(2-thiophen-3-ylethyl)azepane is CC1(CCc2ccsc2)CCCCCN1.
What is the InChIKey of 2-methyl-2-(2-thiophen-3-ylethyl)azepane?
The InChIKey is JHVPPTVAQJRKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-13(7-3-2-4-9-14-13)8-5-12-6-10-15-11-12/h6,10-11,14H,2-5,7-9H2,1H3.
What are the key properties of 2-methyl-2-(2-thiophen-3-ylethyl)azepane?
2-methyl-2-(2-thiophen-3-ylethyl)azepane has a molecular weight of 223.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-thiophen-3-ylethyl)azepane is sourced from PubChem (CID 79117598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).