4-propylsulfonyl-8-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane

C17H27N3O3S — CID 118744464

IUPAC4-propylsulfonyl-8-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCCCS(=O)(=O)N1CCOC2(CCCN(Cc3ccccn3)C2)C1
InChIInChI=1S/C17H27N3O3S/c1-2-12-24(21,22)20-10-11-23-17(15-20)7-5-9-19(14-17)13-16-6-3-4-8-18-16/h3-4,6,8H,2,5,7,9-15H2,1H3
InChIKeyHEJKEFZPKDAHGQ-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.49
Rot. Bonds5

About 4-propylsulfonyl-8-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane

4-propylsulfonyl-8-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 118744464) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 4-propylsulfonyl-8-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-propylsulfonyl-8-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID118744464
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name4-propylsulfonyl-8-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCCCS(=O)(=O)N1CCOC2(CCCN(Cc3ccccn3)C2)C1
InChIInChI=1S/C17H27N3O3S/c1-2-12-24(21,22)20-10-11-23-17(15-20)7-5-9-19(14-17)13-16-6-3-4-8-18-16/h3-4,6,8H,2,5,7,9-15H2,1H3
InChIKeyHEJKEFZPKDAHGQ-UHFFFAOYSA-N
XLogP1.49
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-propylsulfonyl-8-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131643632
(6R)-8-methylsulfonyl-4-(pyridin-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373142
(6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492378
(6R)-2-ethylsulfonyl-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494985
2-[8-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol;bis(2,2,2-trifluoroacetic acid)
CID 155836746
(6S)-8-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372432
2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449549
(3R,5R)-N-methyl-7-propylsulfonyl-N-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778081
9-methylsulfonyl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 171695571
9-(3-methylthiophen-2-yl)sulfonyl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 155873127
2-methylsulfonyl-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131645287
2-ethylsulfonyl-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 155855463

Frequently Asked Questions

What is the IUPAC name of 4-propylsulfonyl-8-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 4-propylsulfonyl-8-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane (CID 118744464) is 4-propylsulfonyl-8-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-propylsulfonyl-8-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 4-propylsulfonyl-8-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane is CCCS(=O)(=O)N1CCOC2(CCCN(Cc3ccccn3)C2)C1.
What is the InChIKey of 4-propylsulfonyl-8-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is HEJKEFZPKDAHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-2-12-24(21,22)20-10-11-23-17(15-20)7-5-9-19(14-17)13-16-6-3-4-8-18-16/h3-4,6,8H,2,5,7,9-15H2,1H3.
What are the key properties of 4-propylsulfonyl-8-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
4-propylsulfonyl-8-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 353.49 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylsulfonyl-8-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118744464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).