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

C10H14ClNOS — CID 116571258

IUPAC4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
SMILESCC(C)(N)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS/c1-10(2,12)6-5-7(13)8-3-4-9(11)14-8/h3-4H,5-6,12H2,1-2H3
InChIKeyGWDDGKNBXFIWDC-UHFFFAOYSA-N
MW231.75 g/mol
LogP3.10
Rot. Bonds4

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

4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one (PubChem CID 116571258) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
PubChem CID116571258
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
SMILESCC(C)(N)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS/c1-10(2,12)6-5-7(13)8-3-4-9(11)14-8/h3-4H,5-6,12H2,1-2H3
InChIKeyGWDDGKNBXFIWDC-UHFFFAOYSA-N
XLogP3.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-one
CID 103024754
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one
CID 116571571
3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one
CID 116608376
amino 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 142178615
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239
4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide
CID 43054602
1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one
CID 79017302
2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one
CID 116556943
6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one
CID 116581530
3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one
CID 116573539
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one?
The IUPAC name of 4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one (CID 116571258) is 4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one.
What is the SMILES notation for 4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one?
The canonical SMILES for 4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one is CC(C)(N)CCC(=O)c1ccc(Cl)s1.
What is the InChIKey of 4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one?
The InChIKey is GWDDGKNBXFIWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-10(2,12)6-5-7(13)8-3-4-9(11)14-8/h3-4H,5-6,12H2,1-2H3.
What are the key properties of 4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one?
4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one has a molecular weight of 231.75 g/mol, XLogP of 3.10, 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)-4-methylpentan-1-one is sourced from PubChem (CID 116571258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).