N-(3-methylsulfonyl-2-propan-2-yloxypropyl)methanesulfonamide

C8H19NO5S2 — CID 121481162

IUPACN-(3-methylsulfonyl-2-propan-2-yloxypropyl)methanesulfonamide
SMILESCC(C)OC(CNS(C)(=O)=O)CS(C)(=O)=O
InChIInChI=1S/C8H19NO5S2/c1-7(2)14-8(6-15(3,10)11)5-9-16(4,12)13/h7-9H,5-6H2,1-4H3
InChIKeyXUVMIWTXSNGSQE-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.63
Rot. Bonds7

About N-(3-methylsulfonyl-2-propan-2-yloxypropyl)methanesulfonamide

N-(3-methylsulfonyl-2-propan-2-yloxypropyl)methanesulfonamide (PubChem CID 121481162) has the molecular formula C8H19NO5S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(3-methylsulfonyl-2-propan-2-yloxypropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methylsulfonyl-2-propan-2-yloxypropyl)methanesulfonamide
PubChem CID121481162
Molecular FormulaC8H19NO5S2
Molecular Weight273.38 g/mol
Exact Mass273.07
IUPAC NameN-(3-methylsulfonyl-2-propan-2-yloxypropyl)methanesulfonamide
SMILESCC(C)OC(CNS(C)(=O)=O)CS(C)(=O)=O
InChIInChI=1S/C8H19NO5S2/c1-7(2)14-8(6-15(3,10)11)5-9-16(4,12)13/h7-9H,5-6H2,1-4H3
InChIKeyXUVMIWTXSNGSQE-UHFFFAOYSA-N
XLogP-0.63
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonyl-2-propan-2-yloxypropyl)methanesulfonamide?
The IUPAC name of N-(3-methylsulfonyl-2-propan-2-yloxypropyl)methanesulfonamide (CID 121481162) is N-(3-methylsulfonyl-2-propan-2-yloxypropyl)methanesulfonamide.
What is the SMILES notation for N-(3-methylsulfonyl-2-propan-2-yloxypropyl)methanesulfonamide?
The canonical SMILES for N-(3-methylsulfonyl-2-propan-2-yloxypropyl)methanesulfonamide is CC(C)OC(CNS(C)(=O)=O)CS(C)(=O)=O.
What is the InChIKey of N-(3-methylsulfonyl-2-propan-2-yloxypropyl)methanesulfonamide?
The InChIKey is XUVMIWTXSNGSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO5S2/c1-7(2)14-8(6-15(3,10)11)5-9-16(4,12)13/h7-9H,5-6H2,1-4H3.
What are the key properties of N-(3-methylsulfonyl-2-propan-2-yloxypropyl)methanesulfonamide?
N-(3-methylsulfonyl-2-propan-2-yloxypropyl)methanesulfonamide has a molecular weight of 273.38 g/mol, XLogP of -0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonyl-2-propan-2-yloxypropyl)methanesulfonamide is sourced from PubChem (CID 121481162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).