N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutane-1-sulfonamide

C13H25NO4S — CID 78942691

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H25NO4S/c1-11(2)5-10-19(15,16)14-12-3-6-13(7-4-12)17-8-9-18-13/h11-12,14H,3-10H2,1-2H3
InChIKeyZQEIFMNAYFEWJK-UHFFFAOYSA-N
MW291.41 g/mol
LogP1.64
Rot. Bonds5

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutane-1-sulfonamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutane-1-sulfonamide (PubChem CID 78942691) has the molecular formula C13H25NO4S and a molecular weight of 291.41 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutane-1-sulfonamide
PubChem CID78942691
Molecular FormulaC13H25NO4S
Molecular Weight291.41 g/mol
Exact Mass291.15
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H25NO4S/c1-11(2)5-10-19(15,16)14-12-3-6-13(7-4-12)17-8-9-18-13/h11-12,14H,3-10H2,1-2H3
InChIKeyZQEIFMNAYFEWJK-UHFFFAOYSA-N
XLogP1.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutane-1-sulfonamide (CID 78942691) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutane-1-sulfonamide?
The InChIKey is ZQEIFMNAYFEWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4S/c1-11(2)5-10-19(15,16)14-12-3-6-13(7-4-12)17-8-9-18-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutane-1-sulfonamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutane-1-sulfonamide has a molecular weight of 291.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 78942691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).