N-(1-oxa-8-azaspiro[4.5]decan-3-yl)propane-2-sulfonamide

C11H22N2O3S — CID 163418620

IUPACN-(1-oxa-8-azaspiro[4.5]decan-3-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1COC2(CCNCC2)C1
InChIInChI=1S/C11H22N2O3S/c1-9(2)17(14,15)13-10-7-11(16-8-10)3-5-12-6-4-11/h9-10,12-13H,3-8H2,1-2H3
InChIKeyAGOHQRIBLUPIGH-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.23
Rot. Bonds3

About N-(1-oxa-8-azaspiro[4.5]decan-3-yl)propane-2-sulfonamide

N-(1-oxa-8-azaspiro[4.5]decan-3-yl)propane-2-sulfonamide (PubChem CID 163418620) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(1-oxa-8-azaspiro[4.5]decan-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-oxa-8-azaspiro[4.5]decan-3-yl)propane-2-sulfonamide
PubChem CID163418620
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(1-oxa-8-azaspiro[4.5]decan-3-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1COC2(CCNCC2)C1
InChIInChI=1S/C11H22N2O3S/c1-9(2)17(14,15)13-10-7-11(16-8-10)3-5-12-6-4-11/h9-10,12-13H,3-8H2,1-2H3
InChIKeyAGOHQRIBLUPIGH-UHFFFAOYSA-N
XLogP0.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5R,9S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97476102
N-[(5R,9S)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97477925
N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97485996
8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131661979
8-Hexan-3-ylsulfonyl-7-methyl-1-oxa-8-azaspiro[4.5]decane
CID 91375655
N-methyl-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide
CID 126506394
N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide
CID 126506465
N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclobutanesulfonamide
CID 126506529
N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclopentanesulfonamide
CID 126506909
N,2-dimethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]propane-2-sulfonamide
CID 135237429
1-cyclopropyl-N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide
CID 135238150
(R)-N-[(4S)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 139427230

Frequently Asked Questions

What is the IUPAC name of N-(1-oxa-8-azaspiro[4.5]decan-3-yl)propane-2-sulfonamide?
The IUPAC name of N-(1-oxa-8-azaspiro[4.5]decan-3-yl)propane-2-sulfonamide (CID 163418620) is N-(1-oxa-8-azaspiro[4.5]decan-3-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(1-oxa-8-azaspiro[4.5]decan-3-yl)propane-2-sulfonamide?
The canonical SMILES for N-(1-oxa-8-azaspiro[4.5]decan-3-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1COC2(CCNCC2)C1.
What is the InChIKey of N-(1-oxa-8-azaspiro[4.5]decan-3-yl)propane-2-sulfonamide?
The InChIKey is AGOHQRIBLUPIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9(2)17(14,15)13-10-7-11(16-8-10)3-5-12-6-4-11/h9-10,12-13H,3-8H2,1-2H3.
What are the key properties of N-(1-oxa-8-azaspiro[4.5]decan-3-yl)propane-2-sulfonamide?
N-(1-oxa-8-azaspiro[4.5]decan-3-yl)propane-2-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxa-8-azaspiro[4.5]decan-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 163418620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).