1-(5-chlorothiophen-2-yl)-2-(methylamino)propan-1-one

C8H10ClNOS — CID 82282703

IUPAC1-(5-chlorothiophen-2-yl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H10ClNOS/c1-5(10-2)8(11)6-3-4-7(9)12-6/h3-5,10H,1-2H3
InChIKeyVTSPXQPERGVFBV-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.19
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(methylamino)propan-1-one

1-(5-chlorothiophen-2-yl)-2-(methylamino)propan-1-one (PubChem CID 82282703) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(methylamino)propan-1-one
PubChem CID82282703
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H10ClNOS/c1-5(10-2)8(11)6-3-4-7(9)12-6/h3-5,10H,1-2H3
InChIKeyVTSPXQPERGVFBV-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(methylamino)propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(methylamino)propan-1-one (CID 82282703) is 1-(5-chlorothiophen-2-yl)-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(methylamino)propan-1-one is CNC(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(methylamino)propan-1-one?
The InChIKey is VTSPXQPERGVFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c1-5(10-2)8(11)6-3-4-7(9)12-6/h3-5,10H,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(methylamino)propan-1-one?
1-(5-chlorothiophen-2-yl)-2-(methylamino)propan-1-one has a molecular weight of 203.69 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(methylamino)propan-1-one is sourced from PubChem (CID 82282703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).