4-[(5-chlorothiophen-2-yl)amino]butan-2-one

C8H10ClNOS — CID 115235367

IUPAC4-[(5-chlorothiophen-2-yl)amino]butan-2-one
SMILESCC(=O)CCNc1ccc(Cl)s1
InChIInChI=1S/C8H10ClNOS/c1-6(11)4-5-10-8-3-2-7(9)12-8/h2-3,10H,4-5H2,1H3
InChIKeyAIUYFUQQYMAHDW-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.79
Rot. Bonds4

About 4-[(5-chlorothiophen-2-yl)amino]butan-2-one

4-[(5-chlorothiophen-2-yl)amino]butan-2-one (PubChem CID 115235367) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)amino]butan-2-one.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)amino]butan-2-one
PubChem CID115235367
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name4-[(5-chlorothiophen-2-yl)amino]butan-2-one
SMILESCC(=O)CCNc1ccc(Cl)s1
InChIInChI=1S/C8H10ClNOS/c1-6(11)4-5-10-8-3-2-7(9)12-8/h2-3,10H,4-5H2,1H3
InChIKeyAIUYFUQQYMAHDW-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chlorothiophen-2-yl)amino]-2,2-dimethylbutanoic acid
CID 115220996
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
5-(5-chlorothiophen-2-yl)pentan-2-one
CID 64522683
2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid
CID 115127738
methyl 2-[[(5-chlorothiophen-2-yl)amino]methyl]butanoate
CID 115252983
4-[[(5-chlorothiophen-2-yl)amino]methyl]benzoic acid
CID 115221831
4-[(5-chlorothiophen-2-yl)amino]-3-hydroxybutanoic acid
CID 115122846
4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide
CID 115156873
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048
4-[(4-bromothiophen-2-yl)amino]butan-2-one
CID 115235409
tert-butyl N-(5-chlorothiophen-2-yl)carbamate
CID 11601095
N-(5-chlorothiophen-2-yl)-2-sulfanylacetamide
CID 115166906

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)amino]butan-2-one?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)amino]butan-2-one (CID 115235367) is 4-[(5-chlorothiophen-2-yl)amino]butan-2-one.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)amino]butan-2-one?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)amino]butan-2-one is CC(=O)CCNc1ccc(Cl)s1.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)amino]butan-2-one?
The InChIKey is AIUYFUQQYMAHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c1-6(11)4-5-10-8-3-2-7(9)12-8/h2-3,10H,4-5H2,1H3.
What are the key properties of 4-[(5-chlorothiophen-2-yl)amino]butan-2-one?
4-[(5-chlorothiophen-2-yl)amino]butan-2-one has a molecular weight of 203.69 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)amino]butan-2-one is sourced from PubChem (CID 115235367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).