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

C10H14ClNOS — CID 116556943

IUPAC2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS/c1-3-6-10(2,12)9(13)7-4-5-8(11)14-7/h4-5H,3,6,12H2,1-2H3
InChIKeyZFNLEXMMUPHWKW-UHFFFAOYSA-N
MW231.75 g/mol
LogP3.10
Rot. Bonds4

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

2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one (PubChem CID 116556943) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one
PubChem CID116556943
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS/c1-3-6-10(2,12)9(13)7-4-5-8(11)14-7/h4-5H,3,6,12H2,1-2H3
InChIKeyZFNLEXMMUPHWKW-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

3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one
CID 116573539
4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
CID 116571258
2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one
CID 116556904
2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone
CID 131075408
2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one
CID 116563850
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239
methyl 3-(5-chlorothiophen-2-yl)-2,2-dimethyl-3-oxopropanoate
CID 116919231
1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-one
CID 103024754
3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one
CID 116608376
diethyl 2-[(5-chlorothiophene-2-carbonyl)amino]propanedioate
CID 33241351
5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 66170632
5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide
CID 64555417

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one (CID 116556943) is 2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one is CCCC(C)(N)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one?
The InChIKey is ZFNLEXMMUPHWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-3-6-10(2,12)9(13)7-4-5-8(11)14-7/h4-5H,3,6,12H2,1-2H3.
What are the key properties of 2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one?
2-amino-1-(5-chlorothiophen-2-yl)-2-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 2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one is sourced from PubChem (CID 116556943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).