N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)pyridine-3-sulfonamide

C14H21N3O3S — CID 126505655

IUPACN-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)pyridine-3-sulfonamide
SMILESCN(C1COC2(CCNCC2)C1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C14H21N3O3S/c1-17(21(18,19)13-3-2-6-16-10-13)12-9-14(20-11-12)4-7-15-8-5-14/h2-3,6,10,12,15H,4-5,7-9,11H2,1H3
InChIKeyPZISNJFXDITGMN-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.61
Rot. Bonds3

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

N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)pyridine-3-sulfonamide (PubChem CID 126505655) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)pyridine-3-sulfonamide
PubChem CID126505655
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)pyridine-3-sulfonamide
SMILESCN(C1COC2(CCNCC2)C1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C14H21N3O3S/c1-17(21(18,19)13-3-2-6-16-10-13)12-9-14(20-11-12)4-7-15-8-5-14/h2-3,6,10,12,15H,4-5,7-9,11H2,1H3
InChIKeyPZISNJFXDITGMN-UHFFFAOYSA-N
XLogP0.61
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(Morpholinosulfonyl)pyridine
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1-(pyridin-3-ylsulfonyl)-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
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3-[3-(3-Phenylpropoxy)pyrrolidin-1-yl]sulfonylpyridine
CID 71860560
N-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75453647
N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-3-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 75536714
N-(oxolan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 84600733
(3R,5S)-3-ethoxy-9-pyridin-3-ylsulfonyl-1-oxa-9-azaspiro[4.5]decane
CID 97419449
(3S,5S)-3-ethoxy-9-pyridin-3-ylsulfonyl-1-oxa-9-azaspiro[4.5]decane
CID 97419680
(4R,4aS,7aS)-6-ethyl-4-methoxy-1-pyridin-3-ylsulfonyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97420754
(4S,4aS,7aS)-6-ethyl-4-methoxy-1-pyridin-3-ylsulfonyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97421632

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)pyridine-3-sulfonamide?
The IUPAC name of N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)pyridine-3-sulfonamide (CID 126505655) is N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)pyridine-3-sulfonamide is CN(C1COC2(CCNCC2)C1)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)pyridine-3-sulfonamide?
The InChIKey is PZISNJFXDITGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-17(21(18,19)13-3-2-6-16-10-13)12-9-14(20-11-12)4-7-15-8-5-14/h2-3,6,10,12,15H,4-5,7-9,11H2,1H3.
What are the key properties of N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)pyridine-3-sulfonamide?
N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)pyridine-3-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 126505655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).