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

C14H28N2O2S — CID 43598127

IUPACN-(1-azaspiro[5.5]undecan-4-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C14H28N2O2S/c1-2-3-11-19(17,18)16-13-7-10-15-14(12-13)8-5-4-6-9-14/h13,15-16H,2-12H2,1H3
InChIKeyDNXGSZMCRHOISN-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.16
Rot. Bonds5

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

N-(1-azaspiro[5.5]undecan-4-yl)butane-1-sulfonamide (PubChem CID 43598127) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)butane-1-sulfonamide
PubChem CID43598127
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C14H28N2O2S/c1-2-3-11-19(17,18)16-13-7-10-15-14(12-13)8-5-4-6-9-14/h13,15-16H,2-12H2,1H3
InChIKeyDNXGSZMCRHOISN-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.16
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)butane-1-sulfonamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)butane-1-sulfonamide (CID 43598127) is N-(1-azaspiro[5.5]undecan-4-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)butane-1-sulfonamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCNC2(CCCCC2)C1.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)butane-1-sulfonamide?
The InChIKey is DNXGSZMCRHOISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-2-3-11-19(17,18)16-13-7-10-15-14(12-13)8-5-4-6-9-14/h13,15-16H,2-12H2,1H3.
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)butane-1-sulfonamide?
N-(1-azaspiro[5.5]undecan-4-yl)butane-1-sulfonamide has a molecular weight of 288.46 g/mol, XLogP of 2.16, 5 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)butane-1-sulfonamide is sourced from PubChem (CID 43598127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).