3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane

C16H25N3O3S — CID 131648490

IUPAC3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(S(=O)(=O)c3cccnc3)CC2)CN1C
InChIInChI=1S/C16H25N3O3S/c1-18-13-16(10-14(18)12-22-2)5-8-19(9-6-16)23(20,21)15-4-3-7-17-11-15/h3-4,7,11,14H,5-6,8-10,12-13H2,1-2H3
InChIKeySIFKOKARLRNCBM-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.20
Rot. Bonds4

About 3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane

3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 131648490) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID131648490
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(S(=O)(=O)c3cccnc3)CC2)CN1C
InChIInChI=1S/C16H25N3O3S/c1-18-13-16(10-14(18)12-22-2)5-8-19(9-6-16)23(20,21)15-4-3-7-17-11-15/h3-4,7,11,14H,5-6,8-10,12-13H2,1-2H3
InChIKeySIFKOKARLRNCBM-UHFFFAOYSA-N
XLogP1.20
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 97482562
2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane
CID 71871364
7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 86286966
7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
CID 155880374
2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120718656
4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid
CID 63125638
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide
CID 90521218
6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131695597
8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118743446
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
N-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine
CID 155901000
2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63878235

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane (CID 131648490) is 3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane is COCC1CC2(CCN(S(=O)(=O)c3cccnc3)CC2)CN1C.
What is the InChIKey of 3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is SIFKOKARLRNCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-18-13-16(10-14(18)12-22-2)5-8-19(9-6-16)23(20,21)15-4-3-7-17-11-15/h3-4,7,11,14H,5-6,8-10,12-13H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane?
3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 339.46 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 131648490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).