7-amino-1-thiophen-2-yloctan-3-one

C12H19NOS — CID 116610138

IUPAC7-amino-1-thiophen-2-yloctan-3-one
SMILESCC(N)CCCC(=O)CCc1cccs1
InChIInChI=1S/C12H19NOS/c1-10(13)4-2-5-11(14)7-8-12-6-3-9-15-12/h3,6,9-10H,2,4-5,7-8,13H2,1H3
InChIKeyQEENZYLUSNQOPK-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.77
Rot. Bonds7

About 7-amino-1-thiophen-2-yloctan-3-one

7-amino-1-thiophen-2-yloctan-3-one (PubChem CID 116610138) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 7-amino-1-thiophen-2-yloctan-3-one.

Molecular Properties

Compound Name7-amino-1-thiophen-2-yloctan-3-one
PubChem CID116610138
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name7-amino-1-thiophen-2-yloctan-3-one
SMILESCC(N)CCCC(=O)CCc1cccs1
InChIInChI=1S/C12H19NOS/c1-10(13)4-2-5-11(14)7-8-12-6-3-9-15-12/h3,6,9-10H,2,4-5,7-8,13H2,1H3
InChIKeyQEENZYLUSNQOPK-UHFFFAOYSA-N
XLogP2.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

thiophen-2-ylmethyl 5-aminohexanoate
CID 82846568
5-methyl-1-thiophen-2-ylhexan-3-one
CID 63776280
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494506
5-methyl-1-thiophen-2-ylheptan-3-one
CID 114973234
6-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)heptanamide
CID 65292813
4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one
CID 116551988
8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one
CID 116574838
5-amino-N-(2-methyl-1-thiophen-2-ylpropyl)hexanamide
CID 82848158
(5S)-5-amino-1-thiophen-2-ylnonan-4-one
CID 15298316
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide
CID 120509228
N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide
CID 83179701

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-thiophen-2-yloctan-3-one?
The IUPAC name of 7-amino-1-thiophen-2-yloctan-3-one (CID 116610138) is 7-amino-1-thiophen-2-yloctan-3-one.
What is the SMILES notation for 7-amino-1-thiophen-2-yloctan-3-one?
The canonical SMILES for 7-amino-1-thiophen-2-yloctan-3-one is CC(N)CCCC(=O)CCc1cccs1.
What is the InChIKey of 7-amino-1-thiophen-2-yloctan-3-one?
The InChIKey is QEENZYLUSNQOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10(13)4-2-5-11(14)7-8-12-6-3-9-15-12/h3,6,9-10H,2,4-5,7-8,13H2,1H3.
What are the key properties of 7-amino-1-thiophen-2-yloctan-3-one?
7-amino-1-thiophen-2-yloctan-3-one has a molecular weight of 225.36 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-thiophen-2-yloctan-3-one is sourced from PubChem (CID 116610138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).