1,4-diazaspiro[5.5]undecane-1-sulfonamide

C9H19N3O2S — CID 114959377

IUPAC1,4-diazaspiro[5.5]undecane-1-sulfonamide
SMILESNS(=O)(=O)N1CCNCC12CCCCC2
InChIInChI=1S/C9H19N3O2S/c10-15(13,14)12-7-6-11-8-9(12)4-2-1-3-5-9/h11H,1-8H2,(H2,10,13,14)
InChIKeyCIQZNZUEELSCFQ-UHFFFAOYSA-N
MW233.34 g/mol
LogP-0.20
Rot. Bonds1

About 1,4-diazaspiro[5.5]undecane-1-sulfonamide

1,4-diazaspiro[5.5]undecane-1-sulfonamide (PubChem CID 114959377) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 1,4-diazaspiro[5.5]undecane-1-sulfonamide.

Molecular Properties

Compound Name1,4-diazaspiro[5.5]undecane-1-sulfonamide
PubChem CID114959377
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name1,4-diazaspiro[5.5]undecane-1-sulfonamide
SMILESNS(=O)(=O)N1CCNCC12CCCCC2
InChIInChI=1S/C9H19N3O2S/c10-15(13,14)12-7-6-11-8-9(12)4-2-1-3-5-9/h11H,1-8H2,(H2,10,13,14)
InChIKeyCIQZNZUEELSCFQ-UHFFFAOYSA-N
XLogP-0.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
CID 121229647
1-methyl-1,4-diazaspiro[5.5]undecane
CID 20761876
1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 64845620
1,4-diazaspiro[5.5]undecan-1-yl(morpholin-4-yl)methanone
CID 79152774
2,2-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine
CID 65460556
piperazine-1-sulfonamide;hydrochloride
CID 67467256
1-(3,4-difluorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane
CID 141044131
1,7-diazaspiro[4.4]nonane-1-carboxamide
CID 91618521
5-methyl-2,5-diazaspiro[3.41]pentatetracontane
CID 134587859
1-methyl-1,7-diazaspiro[4.4]nonane
CID 52988115
ethane;1-methyl-1,8-diazaspiro[3.5]nonane
CID 156845056
(5S)-1-methyl-1,7-diazaspiro[4.4]nonane
CID 86326981

Frequently Asked Questions

What is the IUPAC name of 1,4-diazaspiro[5.5]undecane-1-sulfonamide?
The IUPAC name of 1,4-diazaspiro[5.5]undecane-1-sulfonamide (CID 114959377) is 1,4-diazaspiro[5.5]undecane-1-sulfonamide.
What is the SMILES notation for 1,4-diazaspiro[5.5]undecane-1-sulfonamide?
The canonical SMILES for 1,4-diazaspiro[5.5]undecane-1-sulfonamide is NS(=O)(=O)N1CCNCC12CCCCC2.
What is the InChIKey of 1,4-diazaspiro[5.5]undecane-1-sulfonamide?
The InChIKey is CIQZNZUEELSCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c10-15(13,14)12-7-6-11-8-9(12)4-2-1-3-5-9/h11H,1-8H2,(H2,10,13,14).
What are the key properties of 1,4-diazaspiro[5.5]undecane-1-sulfonamide?
1,4-diazaspiro[5.5]undecane-1-sulfonamide has a molecular weight of 233.34 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazaspiro[5.5]undecane-1-sulfonamide is sourced from PubChem (CID 114959377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).