(5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one

C17H20N4O2S — CID 97395746

IUPAC(5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1nccc1C(=O)N1CCC[C@]2(CCN(c3ccsc3)C2=O)C1
InChIInChI=1S/C17H20N4O2S/c1-19-14(3-7-18-19)15(22)20-8-2-5-17(12-20)6-9-21(16(17)23)13-4-10-24-11-13/h3-4,7,10-11H,2,5-6,8-9,12H2,1H3/t17-/m0/s1
InChIKeyMUIGZSDESBRNIC-KRWDZBQOSA-N
MW344.44 g/mol
LogP2.14
Rot. Bonds2

About (5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one

(5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97395746) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID97395746
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1nccc1C(=O)N1CCC[C@]2(CCN(c3ccsc3)C2=O)C1
InChIInChI=1S/C17H20N4O2S/c1-19-14(3-7-18-19)15(22)20-8-2-5-17(12-20)6-9-21(16(17)23)13-4-10-24-11-13/h3-4,7,10-11H,2,5-6,8-9,12H2,1H3/t17-/m0/s1
InChIKeyMUIGZSDESBRNIC-KRWDZBQOSA-N
XLogP2.14
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155866496
1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 118738782
7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 118739645
9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 131680105
2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131638498
(5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97489862
9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 118744317
1-(1-oxo-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carbonyl)cyclopentane-1-carbonitrile
CID 131686150
8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449913
(5S)-9-(1-methylpyrazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490395
(5R)-9-(2-methylpyrazole-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490097
9-(2-methylpyrazole-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131645726

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one (CID 97395746) is (5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one is Cn1nccc1C(=O)N1CCC[C@]2(CCN(c3ccsc3)C2=O)C1.
What is the InChIKey of (5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is MUIGZSDESBRNIC-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-19-14(3-7-18-19)15(22)20-8-2-5-17(12-20)6-9-21(16(17)23)13-4-10-24-11-13/h3-4,7,10-11H,2,5-6,8-9,12H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
(5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 344.44 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97395746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).