3-amino-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one

C8H10ClNOS — CID 107361410

IUPAC3-amino-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one
SMILESCC(CN)C(=O)c1sccc1Cl
InChIInChI=1S/C8H10ClNOS/c1-5(4-10)7(11)8-6(9)2-3-12-8/h2-3,5H,4,10H2,1H3
InChIKeyNXDACKDXQUOYMC-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.18
Rot. Bonds3

About 3-amino-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one

3-amino-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one (PubChem CID 107361410) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 3-amino-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one
PubChem CID107361410
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name3-amino-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one
SMILESCC(CN)C(=O)c1sccc1Cl
InChIInChI=1S/C8H10ClNOS/c1-5(4-10)7(11)8-6(9)2-3-12-8/h2-3,5H,4,10H2,1H3
InChIKeyNXDACKDXQUOYMC-UHFFFAOYSA-N
XLogP2.18
TPSA43.09 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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one?
The IUPAC name of 3-amino-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one (CID 107361410) is 3-amino-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 3-amino-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 3-amino-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one is CC(CN)C(=O)c1sccc1Cl.
What is the InChIKey of 3-amino-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one?
The InChIKey is NXDACKDXQUOYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c1-5(4-10)7(11)8-6(9)2-3-12-8/h2-3,5H,4,10H2,1H3.
What are the key properties of 3-amino-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one?
3-amino-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one has a molecular weight of 203.69 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 107361410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).