7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide

C15H21N3O3S — CID 3235269

IUPAC7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESCS(=O)(=O)N1CCC2(CC1)CN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C15H21N3O3S/c1-22(20,21)18-9-7-15(8-10-18)11-17(12-15)14(19)16-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,16,19)
InChIKeyMIPCJURDXWBZGS-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.58
Rot. Bonds2

About 7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide

7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide (PubChem CID 3235269) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
PubChem CID3235269
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESCS(=O)(=O)N1CCC2(CC1)CN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C15H21N3O3S/c1-22(20,21)18-9-7-15(8-10-18)11-17(12-15)14(19)16-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,16,19)
InChIKeyMIPCJURDXWBZGS-UHFFFAOYSA-N
XLogP1.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 3234504
7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3233457
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
methyl (2S)-1-methylsulfonyl-4-(phenylcarbamoyl)piperazine-2-carboxylate
CID 7161590
2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97411912
N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97392793
1-methylsulfonyl-4-phenylpiperidin-4-ol
CID 90920425
phenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 3234315
N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97392794
(5S)-7-acetyl-2-methyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438969
2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 134070625
4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 115269781

Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide (CID 3235269) is 7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide is CS(=O)(=O)N1CCC2(CC1)CN(C(=O)Nc1ccccc1)C2.
What is the InChIKey of 7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is MIPCJURDXWBZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-22(20,21)18-9-7-15(8-10-18)11-17(12-15)14(19)16-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,16,19).
What are the key properties of 7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 3235269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).