N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide

C29H36N4O3S — CID 3718684

IUPACN-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide
SMILESCSc1ncccc1C(=O)N1CCC2(CC1)CCN(C(=O)C1CCCCC1NC(=O)c1ccccc1)C2
InChIInChI=1S/C29H36N4O3S/c1-37-26-23(11-7-16-30-26)28(36)32-17-13-29(14-18-32)15-19-33(20-29)27(35)22-10-5-6-12-24(22)31-25(34)21-8-3-2-4-9-21/h2-4,7-9,11,16,22,24H,5-6,10,12-15,17-20H2,1H3,(H,31,34)
InChIKeyQRLAOTZVSAHIED-UHFFFAOYSA-N
MW520.70 g/mol
LogP4.25
Rot. Bonds5

About N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide

N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide (PubChem CID 3718684) has the molecular formula C29H36N4O3S and a molecular weight of 520.70 g/mol. Its IUPAC name is N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide.

Molecular Properties

Compound NameN-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide
PubChem CID3718684
Molecular FormulaC29H36N4O3S
Molecular Weight520.70 g/mol
Exact Mass520.25
IUPAC NameN-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide
SMILESCSc1ncccc1C(=O)N1CCC2(CC1)CCN(C(=O)C1CCCCC1NC(=O)c1ccccc1)C2
InChIInChI=1S/C29H36N4O3S/c1-37-26-23(11-7-16-30-26)28(36)32-17-13-29(14-18-32)15-19-33(20-29)27(35)22-10-5-6-12-24(22)31-25(34)21-8-3-2-4-9-21/h2-4,7-9,11,16,22,24H,5-6,10,12-15,17-20H2,1H3,(H,31,34)
InChIKeyQRLAOTZVSAHIED-UHFFFAOYSA-N
XLogP4.25
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.70
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide with MolForge

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Related Compounds

N-[2-[8-(5-acetylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide
CID 3745381
N-[(1R,2S)-2-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide
CID 74227223
(2-methylsulfanyl-3-pyridinyl)-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 3868204
8-(2-methylsulfanylpyridine-3-carbonyl)-N-(2,3,4,5,6-pentafluorophenyl)-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 3866845
[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 3868214
N-[2-(morpholine-4-carbonyl)cyclohexyl]benzamide
CID 154704792
(2-methylsulfanyl-3-pyridinyl)-[2-[5-(2-phenylethynyl)furan-2-carbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 3867363
8-(cyclopropanecarbonyl)-2-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 170502619
but-2-ynyl 8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 3809575
3-methyl-5-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one
CID 3337588
N-[4-methyl-1-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopent-4-en-2-yl]acetamide
CID 3784698
N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide
CID 24655240

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide?
The IUPAC name of N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide (CID 3718684) is N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide.
What is the SMILES notation for N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide?
The canonical SMILES for N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide is CSc1ncccc1C(=O)N1CCC2(CC1)CCN(C(=O)C1CCCCC1NC(=O)c1ccccc1)C2.
What is the InChIKey of N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide?
The InChIKey is QRLAOTZVSAHIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3S/c1-37-26-23(11-7-16-30-26)28(36)32-17-13-29(14-18-32)15-19-33(20-29)27(35)22-10-5-6-12-24(22)31-25(34)21-8-3-2-4-9-21/h2-4,7-9,11,16,22,24H,5-6,10,12-15,17-20H2,1H3,(H,31,34).
What are the key properties of N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide?
N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide has a molecular weight of 520.70 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide is sourced from PubChem (CID 3718684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).