4-methylsulfonyl-2-propan-2-ylmorpholine

C8H17NO3S — CID 58469106

IUPAC4-methylsulfonyl-2-propan-2-ylmorpholine
SMILESCC(C)C1CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C8H17NO3S/c1-7(2)8-6-9(4-5-12-8)13(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeyRVRBNMMCCLCKET-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.30
Rot. Bonds2

About 4-methylsulfonyl-2-propan-2-ylmorpholine

4-methylsulfonyl-2-propan-2-ylmorpholine (PubChem CID 58469106) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-methylsulfonyl-2-propan-2-ylmorpholine.

Molecular Properties

Compound Name4-methylsulfonyl-2-propan-2-ylmorpholine
PubChem CID58469106
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name4-methylsulfonyl-2-propan-2-ylmorpholine
SMILESCC(C)C1CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C8H17NO3S/c1-7(2)8-6-9(4-5-12-8)13(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeyRVRBNMMCCLCKET-UHFFFAOYSA-N
XLogP0.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Ethylsulfonyl)-2,6-dimethylmorpholine
CID 303121
(2S)-2,5,5-trimethyl-4-methylsulfonylmorpholine
CID 51710288
2-Tert-butyl-4-(trifluoromethylsulfonyl)morpholine
CID 162424387
2,6-Dimethyl-4-(methylsulfonyl)morpholine
CID 3113472
2,6-Dimethyl-4-(propane-1-sulfonyl)morpholine
CID 303127
4-(Butylsulfonyl)-2,6-dimethylmorpholine
CID 303128
(2S,6R)-2,6-dimethyl-4-methylsulfonylmorpholine
CID 669160
2-(2,2-Dimethylpropyl)-4-methylsulfonylmorpholine
CID 20792993
3-[(2-Methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine
CID 21061561
2,6-Dimethyl-4-propan-2-ylsulfonylmorpholine
CID 57881356
2-Propan-2-ylmorpholine-4-sulfonamide
CID 58468690
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide
CID 59833291

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-2-propan-2-ylmorpholine?
The IUPAC name of 4-methylsulfonyl-2-propan-2-ylmorpholine (CID 58469106) is 4-methylsulfonyl-2-propan-2-ylmorpholine.
What is the SMILES notation for 4-methylsulfonyl-2-propan-2-ylmorpholine?
The canonical SMILES for 4-methylsulfonyl-2-propan-2-ylmorpholine is CC(C)C1CN(S(C)(=O)=O)CCO1.
What is the InChIKey of 4-methylsulfonyl-2-propan-2-ylmorpholine?
The InChIKey is RVRBNMMCCLCKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2)8-6-9(4-5-12-8)13(3,10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-methylsulfonyl-2-propan-2-ylmorpholine?
4-methylsulfonyl-2-propan-2-ylmorpholine has a molecular weight of 207.29 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-2-propan-2-ylmorpholine is sourced from PubChem (CID 58469106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).