2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one

C10H18N2OS — CID 169318479

IUPAC2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one
SMILESCC(C)C(=O)N1CCC2(C1)NCCS2
InChIInChI=1S/C10H18N2OS/c1-8(2)9(13)12-5-3-10(7-12)11-4-6-14-10/h8,11H,3-7H2,1-2H3
InChIKeyKIGLNESPTYNGLD-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.91
Rot. Bonds1

About 2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one

2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one (PubChem CID 169318479) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one
PubChem CID169318479
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one
SMILESCC(C)C(=O)N1CCC2(C1)NCCS2
InChIInChI=1S/C10H18N2OS/c1-8(2)9(13)12-5-3-10(7-12)11-4-6-14-10/h8,11H,3-7H2,1-2H3
InChIKeyKIGLNESPTYNGLD-UHFFFAOYSA-N
XLogP0.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444436
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-1-one
CID 107300674
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride
CID 169493333
3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722
2-methyl-1-[4-(2-methylpropanoyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]propan-1-one
CID 169318384
1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane
CID 158658262
tert-butyl 1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate
CID 130490562
7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]nonane
CID 130645894
1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one
CID 130721457
1-(3,3-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one
CID 119141401
2-iodo-9-(2-methylpropanoyl)-2,6,9-triazaspiro[4.5]decan-1-one
CID 170035617

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one (CID 169318479) is 2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one is CC(C)C(=O)N1CCC2(C1)NCCS2.
What is the InChIKey of 2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one?
The InChIKey is KIGLNESPTYNGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8(2)9(13)12-5-3-10(7-12)11-4-6-14-10/h8,11H,3-7H2,1-2H3.
What are the key properties of 2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one?
2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one has a molecular weight of 214.33 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one is sourced from PubChem (CID 169318479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).