N-(1-cyclohexyl-5-methylpyrazol-3-yl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide

C19H30N4O3S — CID 128629954

IUPACN-(1-cyclohexyl-5-methylpyrazol-3-yl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide
SMILESCc1cc(NC(=O)N2CCCC3(CCS(=O)(=O)C3)C2)nn1C1CCCCC1
InChIInChI=1S/C19H30N4O3S/c1-15-12-17(21-23(15)16-6-3-2-4-7-16)20-18(24)22-10-5-8-19(13-22)9-11-27(25,26)14-19/h12,16H,2-11,13-14H2,1H3,(H,20,21,24)
InChIKeyDLOZCYXLCYJGDJ-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.13
Rot. Bonds2

About N-(1-cyclohexyl-5-methylpyrazol-3-yl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide

N-(1-cyclohexyl-5-methylpyrazol-3-yl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 128629954) has the molecular formula C19H30N4O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-(1-cyclohexyl-5-methylpyrazol-3-yl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-5-methylpyrazol-3-yl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID128629954
Molecular FormulaC19H30N4O3S
Molecular Weight394.54 g/mol
Exact Mass394.20
IUPAC NameN-(1-cyclohexyl-5-methylpyrazol-3-yl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide
SMILESCc1cc(NC(=O)N2CCCC3(CCS(=O)(=O)C3)C2)nn1C1CCCCC1
InChIInChI=1S/C19H30N4O3S/c1-15-12-17(21-23(15)16-6-3-2-4-7-16)20-18(24)22-10-5-8-19(13-22)9-11-27(25,26)14-19/h12,16H,2-11,13-14H2,1H3,(H,20,21,24)
InChIKeyDLOZCYXLCYJGDJ-UHFFFAOYSA-N
XLogP3.13
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclopropyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide
CID 154770560
1-[(1-cyclohexyl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103163
(4aS,8aS)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carboxamide
CID 128629932
1-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-[(1R,2R)-2-methylsulfonylcyclohexyl]urea
CID 128629996
N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide
CID 71992760
1-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 146139974
1-cyclohexyl-N-ethyl-5-methylpyrazol-3-amine
CID 174576132
1-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)-2-(3-methoxy-4-methylphenyl)ethanone
CID 128647343
1-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-(1,4-dimethyl-6-oxo-3-pyridinyl)urea
CID 154806309
N-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]acetamide
CID 68666867
(3S)-N-(1-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxamide
CID 164630590
2-[(1-cyclohexyl-5-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 166333160

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-5-methylpyrazol-3-yl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of N-(1-cyclohexyl-5-methylpyrazol-3-yl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide (CID 128629954) is N-(1-cyclohexyl-5-methylpyrazol-3-yl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-5-methylpyrazol-3-yl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-5-methylpyrazol-3-yl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide is Cc1cc(NC(=O)N2CCCC3(CCS(=O)(=O)C3)C2)nn1C1CCCCC1.
What is the InChIKey of N-(1-cyclohexyl-5-methylpyrazol-3-yl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is DLOZCYXLCYJGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3S/c1-15-12-17(21-23(15)16-6-3-2-4-7-16)20-18(24)22-10-5-8-19(13-22)9-11-27(25,26)14-19/h12,16H,2-11,13-14H2,1H3,(H,20,21,24).
What are the key properties of N-(1-cyclohexyl-5-methylpyrazol-3-yl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide?
N-(1-cyclohexyl-5-methylpyrazol-3-yl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-5-methylpyrazol-3-yl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 128629954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).