8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one

C14H23NOS — CID 116574838

IUPAC8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one
SMILESCC(C)(CCN)CCC(=O)CCc1cccs1
InChIInChI=1S/C14H23NOS/c1-14(2,9-10-15)8-7-12(16)5-6-13-4-3-11-17-13/h3-4,11H,5-10,15H2,1-2H3
InChIKeyQKIRNPYQKCWXGR-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.40
Rot. Bonds8

About 8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one

8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one (PubChem CID 116574838) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one.

Molecular Properties

Compound Name8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one
PubChem CID116574838
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one
SMILESCC(C)(CCN)CCC(=O)CCc1cccs1
InChIInChI=1S/C14H23NOS/c1-14(2,9-10-15)8-7-12(16)5-6-13-4-3-11-17-13/h3-4,11H,5-10,15H2,1-2H3
InChIKeyQKIRNPYQKCWXGR-UHFFFAOYSA-N
XLogP3.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide
CID 79494026
1-tert-butylsulfanyl-4-thiophen-2-ylbutan-2-one
CID 65133641
4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
CID 115157089
9-amino-7,7-dimethyl-1-phenylnonan-4-one
CID 116574757
7-amino-1-thiophen-2-yloctan-3-one
CID 116610138
5-methyl-1-thiophen-2-ylhexan-3-one
CID 63776280
2-propanoyloxyethyl 3-oxo-5-thiophen-2-ylpentanoate
CID 174636106
methyl 3,3-dimethyl-5-thiophen-2-ylpentanoate
CID 14256071
4-amino-3,3-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
CID 115157405
N-(1-amino-2-cyclopropylpropan-2-yl)-3-thiophen-2-ylpropanamide
CID 119573701
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide
CID 120509228
N'-methyl-3-thiophen-2-ylpropanehydrazide
CID 116846300

Frequently Asked Questions

What is the IUPAC name of 8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one?
The IUPAC name of 8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one (CID 116574838) is 8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one.
What is the SMILES notation for 8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one?
The canonical SMILES for 8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one is CC(C)(CCN)CCC(=O)CCc1cccs1.
What is the InChIKey of 8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one?
The InChIKey is QKIRNPYQKCWXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-14(2,9-10-15)8-7-12(16)5-6-13-4-3-11-17-13/h3-4,11H,5-10,15H2,1-2H3.
What are the key properties of 8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one?
8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one has a molecular weight of 253.41 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one is sourced from PubChem (CID 116574838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).