3,3-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine

C11H21NO4S — CID 154789706

IUPAC3,3-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine
SMILESCC1(C)COCCN1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H21NO4S/c1-11(2)9-15-7-5-12(11)17(13,14)8-10-4-3-6-16-10/h10H,3-9H2,1-2H3
InChIKeyYKZYTZVIDIJPTG-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.61
Rot. Bonds3

About 3,3-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine

3,3-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine (PubChem CID 154789706) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3,3-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine.

Molecular Properties

Compound Name3,3-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine
PubChem CID154789706
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name3,3-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine
SMILESCC1(C)COCCN1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H21NO4S/c1-11(2)9-15-7-5-12(11)17(13,14)8-10-4-3-6-16-10/h10H,3-9H2,1-2H3
InChIKeyYKZYTZVIDIJPTG-UHFFFAOYSA-N
XLogP0.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-2-carboxylic acid
CID 104595573
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
3-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-3-carboxylic acid
CID 63247201
1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine
CID 64560160
1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride
CID 119961556
[1-(oxolan-2-ylmethylsulfonyl)azepan-2-yl]methanamine
CID 116640178
2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-4-carboxylic acid
CID 106742431
N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962995
(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 115301823
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63247573
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol
CID 63247301
3-bromo-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 80668077

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine?
The IUPAC name of 3,3-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine (CID 154789706) is 3,3-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine.
What is the SMILES notation for 3,3-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine?
The canonical SMILES for 3,3-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine is CC1(C)COCCN1S(=O)(=O)CC1CCCO1.
What is the InChIKey of 3,3-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine?
The InChIKey is YKZYTZVIDIJPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-11(2)9-15-7-5-12(11)17(13,14)8-10-4-3-6-16-10/h10H,3-9H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine?
3,3-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine has a molecular weight of 263.36 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine is sourced from PubChem (CID 154789706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).