1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone

C11H14ClNOS — CID 116600380

IUPAC1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone
SMILESNCC1(C(=O)Cc2ccc(Cl)s2)CCC1
InChIInChI=1S/C11H14ClNOS/c12-10-3-2-8(15-10)6-9(14)11(7-13)4-1-5-11/h2-3H,1,4-7,13H2
InChIKeyXYARLQKAQBWTLK-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.64
Rot. Bonds4

About 1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone

1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone (PubChem CID 116600380) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone
PubChem CID116600380
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone
SMILESNCC1(C(=O)Cc2ccc(Cl)s2)CCC1
InChIInChI=1S/C11H14ClNOS/c12-10-3-2-8(15-10)6-9(14)11(7-13)4-1-5-11/h2-3H,1,4-7,13H2
InChIKeyXYARLQKAQBWTLK-UHFFFAOYSA-N
XLogP2.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116707079
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide
CID 115437904
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide
CID 113311611
2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829545
1-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cycloheptane-1-carboxamide
CID 106047919
1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246509
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcycloheptane-1-carboxamide
CID 115443872
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethanone
CID 116748987
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide
CID 115452737
2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749729
1-[1-(aminomethyl)cycloheptyl]-2-(2,5-dichlorophenyl)ethanone
CID 116602163
1-[1-(aminomethyl)cyclobutyl]propan-1-one
CID 116600219

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone (CID 116600380) is 1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone is NCC1(C(=O)Cc2ccc(Cl)s2)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone?
The InChIKey is XYARLQKAQBWTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-10-3-2-8(15-10)6-9(14)11(7-13)4-1-5-11/h2-3H,1,4-7,13H2.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone?
1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone has a molecular weight of 243.76 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 116600380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).