5-methyl-7-methylsulfonyl-4-oxa-7-azaspiro[2.5]octane

C8H15NO3S — CID 70939490

IUPAC5-methyl-7-methylsulfonyl-4-oxa-7-azaspiro[2.5]octane
SMILESCC1CN(S(C)(=O)=O)CC2(CC2)O1
InChIInChI=1S/C8H15NO3S/c1-7-5-9(13(2,10)11)6-8(12-7)3-4-8/h7H,3-6H2,1-2H3
InChIKeyQWWWNPTXKKSRRH-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.20
Rot. Bonds1

About 5-methyl-7-methylsulfonyl-4-oxa-7-azaspiro[2.5]octane

5-methyl-7-methylsulfonyl-4-oxa-7-azaspiro[2.5]octane (PubChem CID 70939490) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 5-methyl-7-methylsulfonyl-4-oxa-7-azaspiro[2.5]octane.

Molecular Properties

Compound Name5-methyl-7-methylsulfonyl-4-oxa-7-azaspiro[2.5]octane
PubChem CID70939490
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name5-methyl-7-methylsulfonyl-4-oxa-7-azaspiro[2.5]octane
SMILESCC1CN(S(C)(=O)=O)CC2(CC2)O1
InChIInChI=1S/C8H15NO3S/c1-7-5-9(13(2,10)11)6-8(12-7)3-4-8/h7H,3-6H2,1-2H3
InChIKeyQWWWNPTXKKSRRH-UHFFFAOYSA-N
XLogP0.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,5,5-trimethyl-4-methylsulfonylmorpholine
CID 51710288
2,6-Dimethyl-4-(methylsulfonyl)morpholine
CID 3113472
4-Methanesulfonyl-2,2-dimethyl-6-(trifluoromethyl)morpholine
CID 128488151
(2S,6R)-2,6-dimethyl-4-methylsulfonylmorpholine
CID 669160
3-[(2-Methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine
CID 21061561
4-Methylsulfonyl-2-propan-2-ylmorpholine
CID 58469106
2-Methyl-4-methylsulfonylmorpholine
CID 60705499
2-Ethyl-4-methylsulfonylmorpholine
CID 60745031
2,2-Dimethyl-4-methylsulfonylmorpholine
CID 60762908
N-tert-butyl-N-[(1-propan-2-yloxycyclopropyl)methyl]methanesulfonamide
CID 70811587
N-ethyl-N-(2-methyl-2-propan-2-yloxypropyl)methanesulfonamide
CID 88991610
N-methyl-N-[(1-propan-2-yloxycyclopropyl)methyl]methanesulfonamide
CID 89901684

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-methylsulfonyl-4-oxa-7-azaspiro[2.5]octane?
The IUPAC name of 5-methyl-7-methylsulfonyl-4-oxa-7-azaspiro[2.5]octane (CID 70939490) is 5-methyl-7-methylsulfonyl-4-oxa-7-azaspiro[2.5]octane.
What is the SMILES notation for 5-methyl-7-methylsulfonyl-4-oxa-7-azaspiro[2.5]octane?
The canonical SMILES for 5-methyl-7-methylsulfonyl-4-oxa-7-azaspiro[2.5]octane is CC1CN(S(C)(=O)=O)CC2(CC2)O1.
What is the InChIKey of 5-methyl-7-methylsulfonyl-4-oxa-7-azaspiro[2.5]octane?
The InChIKey is QWWWNPTXKKSRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-7-5-9(13(2,10)11)6-8(12-7)3-4-8/h7H,3-6H2,1-2H3.
What are the key properties of 5-methyl-7-methylsulfonyl-4-oxa-7-azaspiro[2.5]octane?
5-methyl-7-methylsulfonyl-4-oxa-7-azaspiro[2.5]octane has a molecular weight of 205.28 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-methylsulfonyl-4-oxa-7-azaspiro[2.5]octane is sourced from PubChem (CID 70939490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).