2-propan-2-ylsulfonylmorpholin-3-one

C7H13NO4S — CID 70183122

IUPAC2-propan-2-ylsulfonylmorpholin-3-one
SMILESCC(C)S(=O)(=O)C1OCCNC1=O
InChIInChI=1S/C7H13NO4S/c1-5(2)13(10,11)7-6(9)8-3-4-12-7/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyBWMHUDJFIRWISN-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.72
Rot. Bonds2

About 2-propan-2-ylsulfonylmorpholin-3-one

2-propan-2-ylsulfonylmorpholin-3-one (PubChem CID 70183122) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-propan-2-ylsulfonylmorpholin-3-one.

Molecular Properties

Compound Name2-propan-2-ylsulfonylmorpholin-3-one
PubChem CID70183122
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name2-propan-2-ylsulfonylmorpholin-3-one
SMILESCC(C)S(=O)(=O)C1OCCNC1=O
InChIInChI=1S/C7H13NO4S/c1-5(2)13(10,11)7-6(9)8-3-4-12-7/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyBWMHUDJFIRWISN-UHFFFAOYSA-N
XLogP-0.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-Dioxo-1-oxa-4lambda6,7-dithia-10-azacyclododecan-11-one
CID 60095535
2-[(2-Ethoxyacetyl)amino]ethanesulfonic acid
CID 88968468
3-(Methylsulfonylmethyl)morpholine-2,5-dione
CID 89743570
6-Methylsulfanylmorpholin-3-one
CID 130440325
N-[2-(2-tert-butylsulfonylethoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 157668021
4,4-Dioxo-1-oxa-4lambda6,7-dithia-10-azacyclododecan-11-one;methane
CID 161897496
2-[2-(ethylamino)ethoxy]-N-[2-(2-ethylsulfonylethoxy)ethyl]-N-methylacetamide
CID 170042417
2-[2-(methylamino)ethoxy]-N-[2-(2-methylsulfonylethoxy)ethyl]acetamide
CID 170359453
2-(2-methylsulfanylethoxy)-N-[2-(2-methylsulfonylethoxy)ethyl]acetamide
CID 170359454
2-(2-methoxyethoxy)-N-[2-(2-methylsulfonylethoxy)ethyl]acetamide
CID 170359455
2-[2-(dimethylamino)ethoxy]-N-[2-(2-methylsulfonylethoxy)ethyl]acetamide
CID 170359456
N-methyl-2-[2-(methylamino)ethoxy]-N-[2-(2-methylsulfonylethoxy)ethyl]acetamide
CID 170359457

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfonylmorpholin-3-one?
The IUPAC name of 2-propan-2-ylsulfonylmorpholin-3-one (CID 70183122) is 2-propan-2-ylsulfonylmorpholin-3-one.
What is the SMILES notation for 2-propan-2-ylsulfonylmorpholin-3-one?
The canonical SMILES for 2-propan-2-ylsulfonylmorpholin-3-one is CC(C)S(=O)(=O)C1OCCNC1=O.
What is the InChIKey of 2-propan-2-ylsulfonylmorpholin-3-one?
The InChIKey is BWMHUDJFIRWISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-5(2)13(10,11)7-6(9)8-3-4-12-7/h5,7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-propan-2-ylsulfonylmorpholin-3-one?
2-propan-2-ylsulfonylmorpholin-3-one has a molecular weight of 207.25 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfonylmorpholin-3-one is sourced from PubChem (CID 70183122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).