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

C10H12ClNOS — CID 60559847

IUPAC1-(azetidin-1-yl)-3-(5-chlorothiophen-2-yl)propan-1-one
SMILESO=C(CCc1ccc(Cl)s1)N1CCC1
InChIInChI=1S/C10H12ClNOS/c11-9-4-2-8(14-9)3-5-10(13)12-6-1-7-12/h2,4H,1,3,5-7H2
InChIKeyWERIEQSSDSTNTG-UHFFFAOYSA-N
MW229.73 g/mol
LogP2.57
Rot. Bonds3

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

1-(azetidin-1-yl)-3-(5-chlorothiophen-2-yl)propan-1-one (PubChem CID 60559847) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-3-(5-chlorothiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(azetidin-1-yl)-3-(5-chlorothiophen-2-yl)propan-1-one
PubChem CID60559847
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC Name1-(azetidin-1-yl)-3-(5-chlorothiophen-2-yl)propan-1-one
SMILESO=C(CCc1ccc(Cl)s1)N1CCC1
InChIInChI=1S/C10H12ClNOS/c11-9-4-2-8(14-9)3-5-10(13)12-6-1-7-12/h2,4H,1,3,5-7H2
InChIKeyWERIEQSSDSTNTG-UHFFFAOYSA-N
XLogP2.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3S)-1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-3-yl]propanoic acid
CID 97338880
2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 114140380
3-(5-chlorothiophen-2-yl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 119636396
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47247812
2-(5-chlorothiophen-2-yl)-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
CID 110806581
(2R)-1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidine-2-carboxylic acid
CID 75499802
2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone
CID 82130418
N-tert-butyl-4-[2-(5-chlorothiophen-2-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813839
3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one
CID 24946900
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-5-hydroxypentan-1-one
CID 79199876
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 119435553
4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110813840

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-3-(5-chlorothiophen-2-yl)propan-1-one?
The IUPAC name of 1-(azetidin-1-yl)-3-(5-chlorothiophen-2-yl)propan-1-one (CID 60559847) is 1-(azetidin-1-yl)-3-(5-chlorothiophen-2-yl)propan-1-one.
What is the SMILES notation for 1-(azetidin-1-yl)-3-(5-chlorothiophen-2-yl)propan-1-one?
The canonical SMILES for 1-(azetidin-1-yl)-3-(5-chlorothiophen-2-yl)propan-1-one is O=C(CCc1ccc(Cl)s1)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-3-(5-chlorothiophen-2-yl)propan-1-one?
The InChIKey is WERIEQSSDSTNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNOS/c11-9-4-2-8(14-9)3-5-10(13)12-6-1-7-12/h2,4H,1,3,5-7H2.
What are the key properties of 1-(azetidin-1-yl)-3-(5-chlorothiophen-2-yl)propan-1-one?
1-(azetidin-1-yl)-3-(5-chlorothiophen-2-yl)propan-1-one has a molecular weight of 229.73 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-3-(5-chlorothiophen-2-yl)propan-1-one is sourced from PubChem (CID 60559847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).