6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane

C14H20ClNOS — CID 126807039

IUPAC6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane
SMILESCCOC1CC2(CCN(Cc3cc(Cl)cs3)C2)C1
InChIInChI=1S/C14H20ClNOS/c1-2-17-12-6-14(7-12)3-4-16(10-14)8-13-5-11(15)9-18-13/h5,9,12H,2-4,6-8,10H2,1H3
InChIKeyRGJMMVJLZZGVGG-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.79
Rot. Bonds4

About 6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane

6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane (PubChem CID 126807039) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane
PubChem CID126807039
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane
SMILESCCOC1CC2(CCN(Cc3cc(Cl)cs3)C2)C1
InChIInChI=1S/C14H20ClNOS/c1-2-17-12-6-14(7-12)3-4-16(10-14)8-13-5-11(15)9-18-13/h5,9,12H,2-4,6-8,10H2,1H3
InChIKeyRGJMMVJLZZGVGG-UHFFFAOYSA-N
XLogP3.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906918
[1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120846916
6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane
CID 126807038
2-ethoxy-6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane
CID 126804343
3-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79733104
1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone
CID 163356375
1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120840158
methyl (2S)-2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 129403207
2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843473
(3S,5S)-3-ethoxy-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 97419682
2-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-5-methoxy-1,3-benzoxazole
CID 154743308
2-[1-[(4-chlorothiophen-2-yl)methyl]-4-hydroxyazepan-4-yl]-2,2-difluoroacetic acid
CID 139016654

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane?
The IUPAC name of 6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane (CID 126807039) is 6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane.
What is the SMILES notation for 6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane?
The canonical SMILES for 6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane is CCOC1CC2(CCN(Cc3cc(Cl)cs3)C2)C1.
What is the InChIKey of 6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane?
The InChIKey is RGJMMVJLZZGVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-2-17-12-6-14(7-12)3-4-16(10-14)8-13-5-11(15)9-18-13/h5,9,12H,2-4,6-8,10H2,1H3.
What are the key properties of 6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane?
6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane has a molecular weight of 285.84 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane is sourced from PubChem (CID 126807039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).