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

C14H21N3O3S — CID 118743874

IUPAC10-methylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCS(=O)(=O)N1CCOCC2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C14H21N3O3S/c1-21(18,19)17-8-9-20-12-14(11-17)5-7-16(10-14)13-4-2-3-6-15-13/h2-4,6H,5,7-12H2,1H3
InChIKeyYOYREFNUPVXJMH-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.57
Rot. Bonds2

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

10-methylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 118743874) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 10-methylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-methylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID118743874
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name10-methylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCS(=O)(=O)N1CCOCC2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C14H21N3O3S/c1-21(18,19)17-8-9-20-12-14(11-17)5-7-16(10-14)13-4-2-3-6-15-13/h2-4,6H,5,7-12H2,1H3
InChIKeyYOYREFNUPVXJMH-UHFFFAOYSA-N
XLogP0.57
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-Pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine
CID 5268063
(5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane
CID 3234926
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
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
10-Ethylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118743872
N,N-dimethyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 118744043
10-Cyclopropylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118744270
10-Propylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118744274

Frequently Asked Questions

What is the IUPAC name of 10-methylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-methylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 118743874) is 10-methylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-methylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-methylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is CS(=O)(=O)N1CCOCC2(CCN(c3ccccn3)C2)C1.
What is the InChIKey of 10-methylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is YOYREFNUPVXJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-21(18,19)17-8-9-20-12-14(11-17)5-7-16(10-14)13-4-2-3-6-15-13/h2-4,6H,5,7-12H2,1H3.
What are the key properties of 10-methylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
10-methylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 311.41 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 118743874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).