(4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

C18H24N4OS — CID 97384134

IUPAC(4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C18H24N4OS/c1-20-12-15(10-19-20)16-9-17(23)21(2)18(16)4-6-22(7-5-18)11-14-3-8-24-13-14/h3,8,10,12-13,16H,4-7,9,11H2,1-2H3/t16-/m0/s1
InChIKeyIAGJTQOFBPUUEL-INIZCTEOSA-N
MW344.48 g/mol
LogP2.46
Rot. Bonds3

About (4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

(4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97384134) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97384134
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C18H24N4OS/c1-20-12-15(10-19-20)16-9-17(23)21(2)18(16)4-6-22(7-5-18)11-14-3-8-24-13-14/h3,8,10,12-13,16H,4-7,9,11H2,1-2H3/t16-/m0/s1
InChIKeyIAGJTQOFBPUUEL-INIZCTEOSA-N
XLogP2.46
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-pyridin-4-yl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131655923
1-methyl-4-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131653046
(4R)-1-methyl-4-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97469911
(4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 97384138
8-[(4-methoxyphenyl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155842126
(4R)-1-methyl-4-(1-methylpyrazol-4-yl)-8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469913
(4R)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391811
8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118744669
1-(2-methoxyethyl)-8-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 134074658
(4S)-4-(1-methylpyrazol-4-yl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97384106
1-methyl-4-(pyridin-4-ylmethyl)-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373388
(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(thiophen-3-ylmethyl)piperidine-3-carboxylic acid
CID 95321612

Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97384134) is (4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(Cc1ccsc1)CC2.
What is the InChIKey of (4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is IAGJTQOFBPUUEL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-20-12-15(10-19-20)16-9-17(23)21(2)18(16)4-6-22(7-5-18)11-14-3-8-24-13-14/h3,8,10,12-13,16H,4-7,9,11H2,1-2H3/t16-/m0/s1.
What are the key properties of (4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
(4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 344.48 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97384134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).