1-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propan-1-one;hydrochloride

C10H15Cl2NOS — CID 70348492

IUPAC1-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propan-1-one;hydrochloride
SMILESCC(C)NCCC(=O)c1ccc(Cl)s1.Cl
InChIInChI=1S/C10H14ClNOS.ClH/c1-7(2)12-6-5-8(13)9-3-4-10(11)14-9;/h3-4,7,12H,5-6H2,1-2H3;1H
InChIKeyFRTNNNBUFWODBE-UHFFFAOYSA-N
MW268.21 g/mol
LogP3.39
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propan-1-one;hydrochloride

1-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propan-1-one;hydrochloride (PubChem CID 70348492) has the molecular formula C10H15Cl2NOS and a molecular weight of 268.21 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propan-1-one;hydrochloride
PubChem CID70348492
Molecular FormulaC10H15Cl2NOS
Molecular Weight268.21 g/mol
Exact Mass267.03
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propan-1-one;hydrochloride
SMILESCC(C)NCCC(=O)c1ccc(Cl)s1.Cl
InChIInChI=1S/C10H14ClNOS.ClH/c1-7(2)12-6-5-8(13)9-3-4-10(11)14-9;/h3-4,7,12H,5-6H2,1-2H3;1H
InChIKeyFRTNNNBUFWODBE-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 53.39
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)-3-(propan-2-ylamino)propan-1-one;hydrochloride?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propan-1-one;hydrochloride (CID 70348492) is 1-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propan-1-one;hydrochloride?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propan-1-one;hydrochloride is CC(C)NCCC(=O)c1ccc(Cl)s1.Cl.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propan-1-one;hydrochloride?
The InChIKey is FRTNNNBUFWODBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS.ClH/c1-7(2)12-6-5-8(13)9-3-4-10(11)14-9;/h3-4,7,12H,5-6H2,1-2H3;1H.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propan-1-one;hydrochloride?
1-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propan-1-one;hydrochloride has a molecular weight of 268.21 g/mol, XLogP of 3.39, 5 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)-3-(propan-2-ylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 70348492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).