N-(1-azaspiro[5.5]undecan-4-yl)-1-(oxolan-2-yl)methanesulfonamide

C15H28N2O3S — CID 63246959

IUPACN-(1-azaspiro[5.5]undecan-4-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C15H28N2O3S/c18-21(19,12-14-5-4-10-20-14)17-13-6-9-16-15(11-13)7-2-1-3-8-15/h13-14,16-17H,1-12H2
InChIKeyFVKIBQXMTHYRIN-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.54
Rot. Bonds4

About N-(1-azaspiro[5.5]undecan-4-yl)-1-(oxolan-2-yl)methanesulfonamide

N-(1-azaspiro[5.5]undecan-4-yl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246959) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246959
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C15H28N2O3S/c18-21(19,12-14-5-4-10-20-14)17-13-6-9-16-15(11-13)7-2-1-3-8-15/h13-14,16-17H,1-12H2
InChIKeyFVKIBQXMTHYRIN-UHFFFAOYSA-N
XLogP1.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 107172917
N-(1-azaspiro[5.5]undecan-4-yl)morpholine-4-sulfonamide
CID 43598110
N-(1-azaspiro[5.5]undecan-4-yl)-2-methylpropane-2-sulfonamide
CID 63688997
N-(propylsulfamoyl)-1-azaspiro[5.5]undecan-4-amine
CID 114810365
1-(oxan-2-yl)-N-[(3R)-piperidin-3-yl]methanesulfonamide
CID 120723774
N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247259
methyl 4-(oxolan-2-ylmethylsulfonylamino)cyclohexane-1-carboxylate
CID 115617300
1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120716775
N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271040
N-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247002
N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119998562
N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55173729

Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-1-(oxolan-2-yl)methanesulfonamide (CID 63246959) is N-(1-azaspiro[5.5]undecan-4-yl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)-1-(oxolan-2-yl)methanesulfonamide is O=S(=O)(CC1CCCO1)NC1CCNC2(CCCCC2)C1.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is FVKIBQXMTHYRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c18-21(19,12-14-5-4-10-20-14)17-13-6-9-16-15(11-13)7-2-1-3-8-15/h13-14,16-17H,1-12H2.
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)-1-(oxolan-2-yl)methanesulfonamide?
N-(1-azaspiro[5.5]undecan-4-yl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 316.47 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azaspiro[5.5]undecan-4-yl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).