2-methyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane

C10H20N2O3S — CID 165486972

IUPAC2-methyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC1CN(S(C)(=O)=O)CC2(CCNCC2)O1
InChIInChI=1S/C10H20N2O3S/c1-9-7-12(16(2,13)14)8-10(15-9)3-5-11-6-4-10/h9,11H,3-8H2,1-2H3
InChIKeyDTDYFOKIJCKJSQ-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.21
Rot. Bonds1

About 2-methyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane

2-methyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 165486972) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-methyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-methyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID165486972
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-methyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC1CN(S(C)(=O)=O)CC2(CCNCC2)O1
InChIInChI=1S/C10H20N2O3S/c1-9-7-12(16(2,13)14)8-10(15-9)3-5-11-6-4-10/h9,11H,3-8H2,1-2H3
InChIKeyDTDYFOKIJCKJSQ-UHFFFAOYSA-N
XLogP-0.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butylsulfonyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 165475814
1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one
CID 165475741
3-[(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)sulfonyl]-4-propan-2-ylbenzoic acid
CID 146130175
(2R,6R)-2-methyl-4-[4-(trifluoromethyl)cyclohexyl]sulfonyl-1,8-dioxa-4-azaspiro[5.5]undecane
CID 129347386
1-methylsulfonylpiperazine
CID 709161
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 120896083
2,6-dimethyl-4-piperazin-1-ylsulfonylmorpholine;hydrochloride
CID 119961532
(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 97475664
7-ethyl-5-methyl-4-oxa-7-azaspiro[2.5]octane
CID 174254137
[(3aS,7aR)-2-methylsulfonyl-3,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3a-yl]methanol;hydrochloride
CID 146050543
(2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine
CID 104961415
(2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129070227

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-methyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 165486972) is 2-methyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-methyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-methyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane is CC1CN(S(C)(=O)=O)CC2(CCNCC2)O1.
What is the InChIKey of 2-methyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is DTDYFOKIJCKJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-9-7-12(16(2,13)14)8-10(15-9)3-5-11-6-4-10/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-methyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane?
2-methyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 248.35 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 165486972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).