(4R,5R)-N,N-dimethyl-1-oxo-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonane-7-sulfonamide

C15H22N4O4S — CID 124798897

IUPAC(4R,5R)-N,N-dimethyl-1-oxo-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonane-7-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@]2(C1)C(=O)NC[C@@H]2COc1cccnc1
InChIInChI=1S/C15H22N4O4S/c1-18(2)24(21,22)19-7-5-15(11-19)12(8-17-14(15)20)10-23-13-4-3-6-16-9-13/h3-4,6,9,12H,5,7-8,10-11H2,1-2H3,(H,17,20)/t12-,15+/m1/s1
InChIKeyBQIMVYSUCABFHU-DOMZBBRYSA-N
MW354.43 g/mol
LogP-0.30
Rot. Bonds5

About (4R,5R)-N,N-dimethyl-1-oxo-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonane-7-sulfonamide

(4R,5R)-N,N-dimethyl-1-oxo-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonane-7-sulfonamide (PubChem CID 124798897) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is (4R,5R)-N,N-dimethyl-1-oxo-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonane-7-sulfonamide.

Molecular Properties

Compound Name(4R,5R)-N,N-dimethyl-1-oxo-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonane-7-sulfonamide
PubChem CID124798897
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC Name(4R,5R)-N,N-dimethyl-1-oxo-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonane-7-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@]2(C1)C(=O)NC[C@@H]2COc1cccnc1
InChIInChI=1S/C15H22N4O4S/c1-18(2)24(21,22)19-7-5-15(11-19)12(8-17-14(15)20)10-23-13-4-3-6-16-9-13/h3-4,6,9,12H,5,7-8,10-11H2,1-2H3,(H,17,20)/t12-,15+/m1/s1
InChIKeyBQIMVYSUCABFHU-DOMZBBRYSA-N
XLogP-0.30
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S,5S)-7-(cyclopropylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97482737
(4S,5S)-7-(pyridin-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97483654
(4R,5S)-7-(furan-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97485283
(4R,5S)-7-[(3-methylthiophen-2-yl)methyl]-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 125250254
(4S,5S)-7-(5-fluoropyrimidin-2-yl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155851132
N,N-dimethyl-4a-(pyridin-3-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide
CID 131648028
(4R,5S)-7-(3-hydroxycyclobutanecarbonyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155865978
(4S,5S)-4-(pyridin-3-yloxymethyl)-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155848909
(4S,5R)-7-methyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 124814377
(4S,5S)-7-[(3-fluorophenyl)methyl]-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155843326
(4R,5S)-4-(pyridin-3-yloxymethyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155862161
(5R)-9-methylsulfonyl-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97475976

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-N,N-dimethyl-1-oxo-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonane-7-sulfonamide?
The IUPAC name of (4R,5R)-N,N-dimethyl-1-oxo-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonane-7-sulfonamide (CID 124798897) is (4R,5R)-N,N-dimethyl-1-oxo-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonane-7-sulfonamide.
What is the SMILES notation for (4R,5R)-N,N-dimethyl-1-oxo-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonane-7-sulfonamide?
The canonical SMILES for (4R,5R)-N,N-dimethyl-1-oxo-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonane-7-sulfonamide is CN(C)S(=O)(=O)N1CC[C@@]2(C1)C(=O)NC[C@@H]2COc1cccnc1.
What is the InChIKey of (4R,5R)-N,N-dimethyl-1-oxo-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonane-7-sulfonamide?
The InChIKey is BQIMVYSUCABFHU-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-18(2)24(21,22)19-7-5-15(11-19)12(8-17-14(15)20)10-23-13-4-3-6-16-9-13/h3-4,6,9,12H,5,7-8,10-11H2,1-2H3,(H,17,20)/t12-,15+/m1/s1.
What are the key properties of (4R,5R)-N,N-dimethyl-1-oxo-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonane-7-sulfonamide?
(4R,5R)-N,N-dimethyl-1-oxo-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonane-7-sulfonamide has a molecular weight of 354.43 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-N,N-dimethyl-1-oxo-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonane-7-sulfonamide is sourced from PubChem (CID 124798897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).