9-[(4,5-dimethylthiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane

C16H26N2S — CID 65245286

IUPAC9-[(4,5-dimethylthiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCc1cc(CN2CC3(CCCC3)NCC2C)sc1C
InChIInChI=1S/C16H26N2S/c1-12-8-15(19-14(12)3)10-18-11-16(6-4-5-7-16)17-9-13(18)2/h8,13,17H,4-7,9-11H2,1-3H3
InChIKeyPKMWJLXKTQUTBJ-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.47
Rot. Bonds2

About 9-[(4,5-dimethylthiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane

9-[(4,5-dimethylthiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane (PubChem CID 65245286) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 9-[(4,5-dimethylthiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(4,5-dimethylthiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
PubChem CID65245286
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name9-[(4,5-dimethylthiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCc1cc(CN2CC3(CCCC3)NCC2C)sc1C
InChIInChI=1S/C16H26N2S/c1-12-8-15(19-14(12)3)10-18-11-16(6-4-5-7-16)17-9-13(18)2/h8,13,17H,4-7,9-11H2,1-3H3
InChIKeyPKMWJLXKTQUTBJ-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(4,5-dimethylthiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(4,5-dimethylthiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane (CID 65245286) is 9-[(4,5-dimethylthiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(4,5-dimethylthiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(4,5-dimethylthiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane is Cc1cc(CN2CC3(CCCC3)NCC2C)sc1C.
What is the InChIKey of 9-[(4,5-dimethylthiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The InChIKey is PKMWJLXKTQUTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12-8-15(19-14(12)3)10-18-11-16(6-4-5-7-16)17-9-13(18)2/h8,13,17H,4-7,9-11H2,1-3H3.
What are the key properties of 9-[(4,5-dimethylthiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
9-[(4,5-dimethylthiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane has a molecular weight of 278.46 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4,5-dimethylthiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 65245286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).