1-amino-3-(5-chlorothiophen-3-yl)propan-2-one

C7H8ClNOS — CID 130995491

IUPAC1-amino-3-(5-chlorothiophen-3-yl)propan-2-one
SMILESNCC(=O)Cc1csc(Cl)c1
InChIInChI=1S/C7H8ClNOS/c8-7-2-5(4-11-7)1-6(10)3-9/h2,4H,1,3,9H2
InChIKeyJSMPBNMIJHYFJU-UHFFFAOYSA-N
MW189.67 g/mol
LogP1.47
Rot. Bonds3

About 1-amino-3-(5-chlorothiophen-3-yl)propan-2-one

1-amino-3-(5-chlorothiophen-3-yl)propan-2-one (PubChem CID 130995491) has the molecular formula C7H8ClNOS and a molecular weight of 189.67 g/mol. Its IUPAC name is 1-amino-3-(5-chlorothiophen-3-yl)propan-2-one.

Molecular Properties

Compound Name1-amino-3-(5-chlorothiophen-3-yl)propan-2-one
PubChem CID130995491
Molecular FormulaC7H8ClNOS
Molecular Weight189.67 g/mol
Exact Mass189.00
IUPAC Name1-amino-3-(5-chlorothiophen-3-yl)propan-2-one
SMILESNCC(=O)Cc1csc(Cl)c1
InChIInChI=1S/C7H8ClNOS/c8-7-2-5(4-11-7)1-6(10)3-9/h2,4H,1,3,9H2
InChIKeyJSMPBNMIJHYFJU-UHFFFAOYSA-N
XLogP1.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone
CID 130767597
2-(5-chlorothiophen-3-yl)-1-thiophen-3-ylethanone
CID 131107772
1-amino-3-(5-chlorothiophen-3-yl)-2-methylpropan-2-ol
CID 130678219
2-(5-chlorothiophen-3-yl)-1-piperidin-4-ylethanone
CID 131071025
2-chloro-4-(nitrosomethyl)thiophene
CID 88926888
CID 165094907
CID 165094907
1-(5-chlorothiophen-3-yl)-2-methylpropane-2-thiol
CID 166897308
2-chloro-4-(isocyanomethyl)thiophene
CID 83480051
5-chlorothiophene-3-carboxamide
CID 818858
1-amino-3-(3-phenylphenyl)propan-2-one
CID 161234923
1-amino-3-(4-bromo-1,3-thiazol-2-yl)propan-2-one
CID 159737342
1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one
CID 131071044

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-chlorothiophen-3-yl)propan-2-one?
The IUPAC name of 1-amino-3-(5-chlorothiophen-3-yl)propan-2-one (CID 130995491) is 1-amino-3-(5-chlorothiophen-3-yl)propan-2-one.
What is the SMILES notation for 1-amino-3-(5-chlorothiophen-3-yl)propan-2-one?
The canonical SMILES for 1-amino-3-(5-chlorothiophen-3-yl)propan-2-one is NCC(=O)Cc1csc(Cl)c1.
What is the InChIKey of 1-amino-3-(5-chlorothiophen-3-yl)propan-2-one?
The InChIKey is JSMPBNMIJHYFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNOS/c8-7-2-5(4-11-7)1-6(10)3-9/h2,4H,1,3,9H2.
What are the key properties of 1-amino-3-(5-chlorothiophen-3-yl)propan-2-one?
1-amino-3-(5-chlorothiophen-3-yl)propan-2-one has a molecular weight of 189.67 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5-chlorothiophen-3-yl)propan-2-one is sourced from PubChem (CID 130995491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).