1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone

C19H34N4O3S — CID 155062113

IUPAC1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCN(CCS(=O)(=O)N3CC4(CCN(C)CC4)C3)CC2)C1
InChIInChI=1S/C19H34N4O3S/c1-17(24)22-13-18(14-22)5-9-21(10-6-18)11-12-27(25,26)23-15-19(16-23)3-7-20(2)8-4-19/h3-16H2,1-2H3
InChIKeyWYQZWCDSNZJCCC-UHFFFAOYSA-N
MW398.57 g/mol
LogP0.29
Rot. Bonds4

About 1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone

1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone (PubChem CID 155062113) has the molecular formula C19H34N4O3S and a molecular weight of 398.57 g/mol. Its IUPAC name is 1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
PubChem CID155062113
Molecular FormulaC19H34N4O3S
Molecular Weight398.57 g/mol
Exact Mass398.24
IUPAC Name1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCN(CCS(=O)(=O)N3CC4(CCN(C)CC4)C3)CC2)C1
InChIInChI=1S/C19H34N4O3S/c1-17(24)22-13-18(14-22)5-9-21(10-6-18)11-12-27(25,26)23-15-19(16-23)3-7-20(2)8-4-19/h3-16H2,1-2H3
InChIKeyWYQZWCDSNZJCCC-UHFFFAOYSA-N
XLogP0.29
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone with MolForge

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Related Compounds

1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 155872480
7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane
CID 145315592
ethane;1-(7-propyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone
CID 176558517
1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 168923326
ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 155751989
1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
CID 89224830
1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one
CID 172604347
imino-methyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-oxo-λ6-sulfane
CID 157041088
cyclopropyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 126759987
1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 155455482
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636

Frequently Asked Questions

What is the IUPAC name of 1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The IUPAC name of 1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone (CID 155062113) is 1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone.
What is the SMILES notation for 1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The canonical SMILES for 1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone is CC(=O)N1CC2(CCN(CCS(=O)(=O)N3CC4(CCN(C)CC4)C3)CC2)C1.
What is the InChIKey of 1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The InChIKey is WYQZWCDSNZJCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3S/c1-17(24)22-13-18(14-22)5-9-21(10-6-18)11-12-27(25,26)23-15-19(16-23)3-7-20(2)8-4-19/h3-16H2,1-2H3.
What are the key properties of 1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone has a molecular weight of 398.57 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone is sourced from PubChem (CID 155062113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).