2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methylsulfanylacetyl)-2,8-diazaspiro[5.5]undecan-3-one

C18H26N4O2S — CID 72901535

IUPAC2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methylsulfanylacetyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCSCC(=O)N1CCCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1
InChIInChI=1S/C18H26N4O2S/c1-14-8-20-15(9-19-14)10-22-13-18(6-4-16(22)23)5-3-7-21(12-18)17(24)11-25-2/h8-9H,3-7,10-13H2,1-2H3
InChIKeyYOYSPUYDVLALQE-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.88
Rot. Bonds4

About 2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methylsulfanylacetyl)-2,8-diazaspiro[5.5]undecan-3-one

2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methylsulfanylacetyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72901535) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methylsulfanylacetyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methylsulfanylacetyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID72901535
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methylsulfanylacetyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCSCC(=O)N1CCCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1
InChIInChI=1S/C18H26N4O2S/c1-14-8-20-15(9-19-14)10-22-13-18(6-4-16(22)23)5-3-7-21(12-18)17(24)11-25-2/h8-9H,3-7,10-13H2,1-2H3
InChIKeyYOYSPUYDVLALQE-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-propan-2-ylsulfanylacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97131397
N-ethyl-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 70776193
(6S)-8-(2-amino-2-methylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96579626
2-[(5-methylpyrazin-2-yl)methyl]-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72886785
(6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97276892
2-[(5-methylpyrazin-2-yl)methyl]-8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72840383
(6S)-8-(2-methylfuran-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97151690
(6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97141105
(6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(6-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97156961
(6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97141575
8-(1,3-dihydroxypropan-2-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70778789
(6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97119844

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methylsulfanylacetyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methylsulfanylacetyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 72901535) is 2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methylsulfanylacetyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methylsulfanylacetyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methylsulfanylacetyl)-2,8-diazaspiro[5.5]undecan-3-one is CSCC(=O)N1CCCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1.
What is the InChIKey of 2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methylsulfanylacetyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is YOYSPUYDVLALQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-14-8-20-15(9-19-14)10-22-13-18(6-4-16(22)23)5-3-7-21(12-18)17(24)11-25-2/h8-9H,3-7,10-13H2,1-2H3.
What are the key properties of 2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methylsulfanylacetyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methylsulfanylacetyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.50 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methylsulfanylacetyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72901535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).