1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine

C12H18ClNOS — CID 102976529

IUPAC1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
SMILESCC(NCC1CCOCC1)c1csc(Cl)c1
InChIInChI=1S/C12H18ClNOS/c1-9(11-6-12(13)16-8-11)14-7-10-2-4-15-5-3-10/h6,8-10,14H,2-5,7H2,1H3
InChIKeyOCLLBFMLNXUWTH-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.48
Rot. Bonds4

About 1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine

1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 102976529) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
PubChem CID102976529
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
SMILESCC(NCC1CCOCC1)c1csc(Cl)c1
InChIInChI=1S/C12H18ClNOS/c1-9(11-6-12(13)16-8-11)14-7-10-2-4-15-5-3-10/h6,8-10,14H,2-5,7H2,1H3
InChIKeyOCLLBFMLNXUWTH-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-3-yl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethanamine
CID 102976400
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine
CID 102976313
1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 102976720
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386409
N-[1-(5-chlorothiophen-3-yl)ethyl]cyclopent-3-en-1-amine
CID 102976675
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(5-chlorothiophen-3-yl)ethanamine
CID 102976567
N-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
CID 103854849
1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
CID 62385198
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol
CID 102976600
1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386041

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of 1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine (CID 102976529) is 1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine is CC(NCC1CCOCC1)c1csc(Cl)c1.
What is the InChIKey of 1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is OCLLBFMLNXUWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c1-9(11-6-12(13)16-8-11)14-7-10-2-4-15-5-3-10/h6,8-10,14H,2-5,7H2,1H3.
What are the key properties of 1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine?
1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 259.80 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 102976529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).