3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-sulfonamide

C11H21N3O3S — CID 114810194

IUPAC3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C11H21N3O3S/c1-2-5-13-18(16,17)14-6-3-11(4-7-14)8-10(15)12-9-11/h13H,2-9H2,1H3,(H,12,15)
InChIKeyCODNUSRXORSQEX-UHFFFAOYSA-N
MW275.37 g/mol
LogP-0.17
Rot. Bonds4

About 3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-sulfonamide

3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-sulfonamide (PubChem CID 114810194) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-sulfonamide.

Molecular Properties

Compound Name3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-sulfonamide
PubChem CID114810194
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C11H21N3O3S/c1-2-5-13-18(16,17)14-6-3-11(4-7-14)8-10(15)12-9-11/h13H,2-9H2,1H3,(H,12,15)
InChIKeyCODNUSRXORSQEX-UHFFFAOYSA-N
XLogP-0.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-sulfonamide?
The IUPAC name of 3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-sulfonamide (CID 114810194) is 3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-sulfonamide.
What is the SMILES notation for 3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-sulfonamide?
The canonical SMILES for 3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-sulfonamide is CCCNS(=O)(=O)N1CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-sulfonamide?
The InChIKey is CODNUSRXORSQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-2-5-13-18(16,17)14-6-3-11(4-7-14)8-10(15)12-9-11/h13H,2-9H2,1H3,(H,12,15).
What are the key properties of 3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-sulfonamide?
3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-sulfonamide is sourced from PubChem (CID 114810194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).