1-methyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one

C16H24N2OS — CID 118744739

IUPAC1-methyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
SMILESCc1ccc(CN2CCCC3(CCCC(=O)N3C)C2)s1
InChIInChI=1S/C16H24N2OS/c1-13-6-7-14(20-13)11-18-10-4-9-16(12-18)8-3-5-15(19)17(16)2/h6-7H,3-5,8-12H2,1-2H3
InChIKeySCZRIBLMIQJVFJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.03
Rot. Bonds2

About 1-methyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one

1-methyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 118744739) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-methyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name1-methyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID118744739
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-methyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
SMILESCc1ccc(CN2CCCC3(CCCC(=O)N3C)C2)s1
InChIInChI=1S/C16H24N2OS/c1-13-6-7-14(20-13)11-18-10-4-9-16(12-18)8-3-5-15(19)17(16)2/h6-7H,3-5,8-12H2,1-2H3
InChIKeySCZRIBLMIQJVFJ-UHFFFAOYSA-N
XLogP3.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylthiophen-2-yl)-methanone
CID 11631394
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)cyclohexanecarboxamide
CID 5310190
1-[4-(1-Methylpiperidin-3-yl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one
CID 71976315
9-[(5-Methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one
CID 97370782
1-Methyl-4-(2-methylpropyl)-9-[(5-methylthiophen-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373316
(5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
CID 97375554
1-[2-(Dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493714
N,N-dimethyl-2-[2-oxo-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide
CID 97493771
N,N-dimethyl-2-[8-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]acetamide
CID 97493776
1-Ethyl-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 118738809
8-[(5-Methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 118742260
1-Methyl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 118742310

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 1-methyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one (CID 118744739) is 1-methyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 1-methyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 1-methyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one is Cc1ccc(CN2CCCC3(CCCC(=O)N3C)C2)s1.
What is the InChIKey of 1-methyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is SCZRIBLMIQJVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-13-6-7-14(20-13)11-18-10-4-9-16(12-18)8-3-5-15(19)17(16)2/h6-7H,3-5,8-12H2,1-2H3.
What are the key properties of 1-methyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one?
1-methyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 292.45 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 118744739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).