10-propylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

C16H25N3O3S — CID 118744274

IUPAC10-propylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCCCS(=O)(=O)N1CCOCC2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C16H25N3O3S/c1-2-11-23(20,21)19-9-10-22-14-16(13-19)6-8-18(12-16)15-5-3-4-7-17-15/h3-5,7H,2,6,8-14H2,1H3
InChIKeyZXEDOBDAUNQTGD-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.35
Rot. Bonds4

About 10-propylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

10-propylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 118744274) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 10-propylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-propylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID118744274
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name10-propylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCCCS(=O)(=O)N1CCOCC2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C16H25N3O3S/c1-2-11-23(20,21)19-9-10-22-14-16(13-19)6-8-18(12-16)15-5-3-4-7-17-15/h3-5,7H,2,6,8-14H2,1H3
InChIKeyZXEDOBDAUNQTGD-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-Dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine
CID 4882124
4-[(6-Pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine
CID 5268063
4-(benzenesulfonyl)-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97391247
4-ethylsulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97383561
1-(2-methoxyethyl)-4-methylsulfonyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97383581
4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97383582
4-cyclopropylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97383583
9-Propylsulfonyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450954
7-Cyclopropylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.4]octane
CID 97472635
4-Ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118743534
4-Propylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118743858
2-Ethylsulfonyl-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118743860

Frequently Asked Questions

What is the IUPAC name of 10-propylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-propylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 118744274) is 10-propylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-propylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-propylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is CCCS(=O)(=O)N1CCOCC2(CCN(c3ccccn3)C2)C1.
What is the InChIKey of 10-propylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is ZXEDOBDAUNQTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-2-11-23(20,21)19-9-10-22-14-16(13-19)6-8-18(12-16)15-5-3-4-7-17-15/h3-5,7H,2,6,8-14H2,1H3.
What are the key properties of 10-propylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
10-propylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 339.46 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 118744274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).