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

C9H12ClNOS — CID 116571571

IUPAC4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one
SMILESCC(N)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClNOS/c1-6(11)2-3-7(12)8-4-5-9(10)13-8/h4-6H,2-3,11H2,1H3
InChIKeyQKEAGPDQLZRRRR-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.71
Rot. Bonds4

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

4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one (PubChem CID 116571571) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is 4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one
PubChem CID116571571
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one
SMILESCC(N)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClNOS/c1-6(11)2-3-7(12)8-4-5-9(10)13-8/h4-6H,2-3,11H2,1H3
InChIKeyQKEAGPDQLZRRRR-UHFFFAOYSA-N
XLogP2.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one
CID 116581530
4-amino-1-(5-methylthiophen-2-yl)pentan-1-one
CID 116571604
4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
CID 116571258
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one
CID 116608376
amino 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 142178615
4-amino-1-thiophen-2-ylpentan-1-one
CID 116571816
4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide
CID 43054602
1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
CID 46232018
4-amino-1-(4-chlorophenyl)pentan-1-one
CID 116571618
1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one
CID 79017302
1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43228210

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one?
The IUPAC name of 4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one (CID 116571571) is 4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one?
The canonical SMILES for 4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one is CC(N)CCC(=O)c1ccc(Cl)s1.
What is the InChIKey of 4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one?
The InChIKey is QKEAGPDQLZRRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c1-6(11)2-3-7(12)8-4-5-9(10)13-8/h4-6H,2-3,11H2,1H3.
What are the key properties of 4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one?
4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one has a molecular weight of 217.72 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one is sourced from PubChem (CID 116571571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).