7-[(2-methyl-3-pyridinyl)sulfonyl]-2-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane

C17H25N3O3S — CID 172634830

IUPAC7-[(2-methyl-3-pyridinyl)sulfonyl]-2-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane
SMILESCc1ncccc1S(=O)(=O)C1NCC12CN(CC1CCOCC1)C2
InChIInChI=1S/C17H25N3O3S/c1-13-15(3-2-6-18-13)24(21,22)16-17(10-19-16)11-20(12-17)9-14-4-7-23-8-5-14/h2-3,6,14,16,19H,4-5,7-12H2,1H3
InChIKeyNUAXDNGXDLYWQZ-UHFFFAOYSA-N
MW351.47 g/mol
LogP0.82
Rot. Bonds4

About 7-[(2-methyl-3-pyridinyl)sulfonyl]-2-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane

7-[(2-methyl-3-pyridinyl)sulfonyl]-2-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane (PubChem CID 172634830) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 7-[(2-methyl-3-pyridinyl)sulfonyl]-2-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name7-[(2-methyl-3-pyridinyl)sulfonyl]-2-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane
PubChem CID172634830
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name7-[(2-methyl-3-pyridinyl)sulfonyl]-2-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane
SMILESCc1ncccc1S(=O)(=O)C1NCC12CN(CC1CCOCC1)C2
InChIInChI=1S/C17H25N3O3S/c1-13-15(3-2-6-18-13)24(21,22)16-17(10-19-16)11-20(12-17)9-14-4-7-23-8-5-14/h2-3,6,14,16,19H,4-5,7-12H2,1H3
InChIKeyNUAXDNGXDLYWQZ-UHFFFAOYSA-N
XLogP0.82
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[(2-methyl-3-pyridinyl)sulfonyl]-2-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane with MolForge

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Related Compounds

7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane
CID 176550355
7-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
CID 172634874
7-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]sulfonyl-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
CID 172634851
2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine
CID 110102930
N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63706789
1'-(oxan-4-ylmethyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one
CID 134787611
(8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124893412
2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-sulfonamide
CID 62824766
4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 110103697
(8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124893160
2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane
CID 169160962
3-[methyl(oxan-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597356

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methyl-3-pyridinyl)sulfonyl]-2-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 7-[(2-methyl-3-pyridinyl)sulfonyl]-2-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane (CID 172634830) is 7-[(2-methyl-3-pyridinyl)sulfonyl]-2-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 7-[(2-methyl-3-pyridinyl)sulfonyl]-2-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 7-[(2-methyl-3-pyridinyl)sulfonyl]-2-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane is Cc1ncccc1S(=O)(=O)C1NCC12CN(CC1CCOCC1)C2.
What is the InChIKey of 7-[(2-methyl-3-pyridinyl)sulfonyl]-2-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane?
The InChIKey is NUAXDNGXDLYWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-13-15(3-2-6-18-13)24(21,22)16-17(10-19-16)11-20(12-17)9-14-4-7-23-8-5-14/h2-3,6,14,16,19H,4-5,7-12H2,1H3.
What are the key properties of 7-[(2-methyl-3-pyridinyl)sulfonyl]-2-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane?
7-[(2-methyl-3-pyridinyl)sulfonyl]-2-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane has a molecular weight of 351.47 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methyl-3-pyridinyl)sulfonyl]-2-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 172634830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).