N-methyl-2-methylsulfonyl-N-phenyl-2-azaspiro[4.5]decane-4-carboxamide

C18H26N2O3S — CID 86771564

IUPACN-methyl-2-methylsulfonyl-N-phenyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCN(C(=O)C1CN(S(C)(=O)=O)CC12CCCCC2)c1ccccc1
InChIInChI=1S/C18H26N2O3S/c1-19(15-9-5-3-6-10-15)17(21)16-13-20(24(2,22)23)14-18(16)11-7-4-8-12-18/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3
InChIKeyJKMMYKTXQAVNPW-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.49
Rot. Bonds3

About N-methyl-2-methylsulfonyl-N-phenyl-2-azaspiro[4.5]decane-4-carboxamide

N-methyl-2-methylsulfonyl-N-phenyl-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 86771564) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-methyl-2-methylsulfonyl-N-phenyl-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-methylsulfonyl-N-phenyl-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID86771564
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-methyl-2-methylsulfonyl-N-phenyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCN(C(=O)C1CN(S(C)(=O)=O)CC12CCCCC2)c1ccccc1
InChIInChI=1S/C18H26N2O3S/c1-19(15-9-5-3-6-10-15)17(21)16-13-20(24(2,22)23)14-18(16)11-7-4-8-12-18/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3
InChIKeyJKMMYKTXQAVNPW-UHFFFAOYSA-N
XLogP2.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 71837117
N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 71837112
(4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105804
2-[(4aR,8aR)-4a-hydroxy-7-methylsulfonyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-N-methyl-N-phenylacetamide
CID 72874031
(1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide
CID 92533966
1-amino-N-methyl-N-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119261831
1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide
CID 28633931
(4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 95105764
N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989
N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936
pyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone
CID 53183553
N-methyl-N-phenylthiane-2-carboxamide
CID 110856898

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonyl-N-phenyl-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-methyl-2-methylsulfonyl-N-phenyl-2-azaspiro[4.5]decane-4-carboxamide (CID 86771564) is N-methyl-2-methylsulfonyl-N-phenyl-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-methyl-2-methylsulfonyl-N-phenyl-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-methyl-2-methylsulfonyl-N-phenyl-2-azaspiro[4.5]decane-4-carboxamide is CN(C(=O)C1CN(S(C)(=O)=O)CC12CCCCC2)c1ccccc1.
What is the InChIKey of N-methyl-2-methylsulfonyl-N-phenyl-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is JKMMYKTXQAVNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-19(15-9-5-3-6-10-15)17(21)16-13-20(24(2,22)23)14-18(16)11-7-4-8-12-18/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfonyl-N-phenyl-2-azaspiro[4.5]decane-4-carboxamide?
N-methyl-2-methylsulfonyl-N-phenyl-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 350.48 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonyl-N-phenyl-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 86771564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).