4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one

C11H17NOS — CID 116556032

IUPAC4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one
SMILESCCc1ccc(CC(=O)CC(C)N)s1
InChIInChI=1S/C11H17NOS/c1-3-10-4-5-11(14-10)7-9(13)6-8(2)12/h4-5,8H,3,6-7,12H2,1-2H3
InChIKeyQITRSOVVMBSJAC-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.16
Rot. Bonds5

About 4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one

4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one (PubChem CID 116556032) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one.

Molecular Properties

Compound Name4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one
PubChem CID116556032
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one
SMILESCCc1ccc(CC(=O)CC(C)N)s1
InChIInChI=1S/C11H17NOS/c1-3-10-4-5-11(14-10)7-9(13)6-8(2)12/h4-5,8H,3,6-7,12H2,1-2H3
InChIKeyQITRSOVVMBSJAC-UHFFFAOYSA-N
XLogP2.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophen-2-yl)-4,5,5-trimethylhexan-2-one
CID 114967772
4-(aminomethyl)-1-(5-ethylthiophen-2-yl)hexan-2-one
CID 116596414
4-(aminomethyl)-1-(5-ethylthiophen-2-yl)-6-methylheptan-2-one
CID 116577024
2-amino-3-(5-ethylthiophen-2-yl)propanamide
CID 64990824
1-(5-ethylthiophen-2-yl)-4,4-dimethylpentan-2-one
CID 63892354
1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one
CID 62622317
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119291761
1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one
CID 116578854
(2S,3S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentanamide
CID 103832951
1-tert-butylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-one
CID 65133930
2,5-diethylthiophene
CID 521294
1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one
CID 43131948

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one?
The IUPAC name of 4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one (CID 116556032) is 4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one.
What is the SMILES notation for 4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one?
The canonical SMILES for 4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one is CCc1ccc(CC(=O)CC(C)N)s1.
What is the InChIKey of 4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one?
The InChIKey is QITRSOVVMBSJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-10-4-5-11(14-10)7-9(13)6-8(2)12/h4-5,8H,3,6-7,12H2,1-2H3.
What are the key properties of 4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one?
4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one has a molecular weight of 211.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one is sourced from PubChem (CID 116556032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).