9-[2-(5-chlorothiophen-2-yl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane

C15H23ClN2S — CID 106043887

IUPAC9-[2-(5-chlorothiophen-2-yl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCC1CNC2(CCCC2)CN1CCc1ccc(Cl)s1
InChIInChI=1S/C15H23ClN2S/c1-12-10-17-15(7-2-3-8-15)11-18(12)9-6-13-4-5-14(16)19-13/h4-5,12,17H,2-3,6-11H2,1H3
InChIKeyXVYVTTTWITWAFU-UHFFFAOYSA-N
MW298.88 g/mol
LogP3.55
Rot. Bonds3

About 9-[2-(5-chlorothiophen-2-yl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane

9-[2-(5-chlorothiophen-2-yl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane (PubChem CID 106043887) has the molecular formula C15H23ClN2S and a molecular weight of 298.88 g/mol. Its IUPAC name is 9-[2-(5-chlorothiophen-2-yl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[2-(5-chlorothiophen-2-yl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane
PubChem CID106043887
Molecular FormulaC15H23ClN2S
Molecular Weight298.88 g/mol
Exact Mass298.13
IUPAC Name9-[2-(5-chlorothiophen-2-yl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCC1CNC2(CCCC2)CN1CCc1ccc(Cl)s1
InChIInChI=1S/C15H23ClN2S/c1-12-10-17-15(7-2-3-8-15)11-18(12)9-6-13-4-5-14(16)19-13/h4-5,12,17H,2-3,6-11H2,1H3
InChIKeyXVYVTTTWITWAFU-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.88
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64876028
8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64933810
1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine
CID 106043841
9-[(4,5-dimethylthiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 65245286
9-ethyl-8-methyl-6,9-diazaspiro[4.5]decane
CID 64877161
9-(2-cyclopentylethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64934593
8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64878537
8-methyl-9-(thiophen-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64876781
3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64877798
9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64877544
11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane
CID 64870765
9-(4-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64933705

Frequently Asked Questions

What is the IUPAC name of 9-[2-(5-chlorothiophen-2-yl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[2-(5-chlorothiophen-2-yl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane (CID 106043887) is 9-[2-(5-chlorothiophen-2-yl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[2-(5-chlorothiophen-2-yl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[2-(5-chlorothiophen-2-yl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane is CC1CNC2(CCCC2)CN1CCc1ccc(Cl)s1.
What is the InChIKey of 9-[2-(5-chlorothiophen-2-yl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The InChIKey is XVYVTTTWITWAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2S/c1-12-10-17-15(7-2-3-8-15)11-18(12)9-6-13-4-5-14(16)19-13/h4-5,12,17H,2-3,6-11H2,1H3.
What are the key properties of 9-[2-(5-chlorothiophen-2-yl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane?
9-[2-(5-chlorothiophen-2-yl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane has a molecular weight of 298.88 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(5-chlorothiophen-2-yl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 106043887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).