N-(1-azaspiro[5.5]undecan-4-yl)propane-1-sulfonamide

C13H26N2O2S — CID 43598126

IUPACN-(1-azaspiro[5.5]undecan-4-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C13H26N2O2S/c1-2-10-18(16,17)15-12-6-9-14-13(11-12)7-4-3-5-8-13/h12,14-15H,2-11H2,1H3
InChIKeyXAUPBPZIKHPPNM-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.77
Rot. Bonds4

About N-(1-azaspiro[5.5]undecan-4-yl)propane-1-sulfonamide

N-(1-azaspiro[5.5]undecan-4-yl)propane-1-sulfonamide (PubChem CID 43598126) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)propane-1-sulfonamide
PubChem CID43598126
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C13H26N2O2S/c1-2-10-18(16,17)15-12-6-9-14-13(11-12)7-4-3-5-8-13/h12,14-15H,2-11H2,1H3
InChIKeyXAUPBPZIKHPPNM-UHFFFAOYSA-N
XLogP1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)propane-1-sulfonamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)propane-1-sulfonamide (CID 43598126) is N-(1-azaspiro[5.5]undecan-4-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)propane-1-sulfonamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC1CCNC2(CCCCC2)C1.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)propane-1-sulfonamide?
The InChIKey is XAUPBPZIKHPPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-10-18(16,17)15-12-6-9-14-13(11-12)7-4-3-5-8-13/h12,14-15H,2-11H2,1H3.
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)propane-1-sulfonamide?
N-(1-azaspiro[5.5]undecan-4-yl)propane-1-sulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azaspiro[5.5]undecan-4-yl)propane-1-sulfonamide is sourced from PubChem (CID 43598126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).