N-[(2S)-3-methylsulfonyl-2-propan-2-yloxypropyl]methanesulfonamide

C8H19NO5S2 — CID 121481103

IUPACN-[(2S)-3-methylsulfonyl-2-propan-2-yloxypropyl]methanesulfonamide
SMILESCC(C)O[C@@H](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/t8-/m0/s1
InChIKeyXUVMIWTXSNGSQE-QMMMGPOBSA-N
MW273.38 g/mol
LogP-0.63
Rot. Bonds7

About N-[(2S)-3-methylsulfonyl-2-propan-2-yloxypropyl]methanesulfonamide

N-[(2S)-3-methylsulfonyl-2-propan-2-yloxypropyl]methanesulfonamide (PubChem CID 121481103) has the molecular formula C8H19NO5S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(2S)-3-methylsulfonyl-2-propan-2-yloxypropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-methylsulfonyl-2-propan-2-yloxypropyl]methanesulfonamide
PubChem CID121481103
Molecular FormulaC8H19NO5S2
Molecular Weight273.38 g/mol
Exact Mass273.07
IUPAC NameN-[(2S)-3-methylsulfonyl-2-propan-2-yloxypropyl]methanesulfonamide
SMILESCC(C)O[C@@H](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/t8-/m0/s1
InChIKeyXUVMIWTXSNGSQE-QMMMGPOBSA-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-[(2S)-3-methylsulfonyl-2-propan-2-yloxypropyl]methanesulfonamide?
The IUPAC name of N-[(2S)-3-methylsulfonyl-2-propan-2-yloxypropyl]methanesulfonamide (CID 121481103) is N-[(2S)-3-methylsulfonyl-2-propan-2-yloxypropyl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-3-methylsulfonyl-2-propan-2-yloxypropyl]methanesulfonamide?
The canonical SMILES for N-[(2S)-3-methylsulfonyl-2-propan-2-yloxypropyl]methanesulfonamide is CC(C)O[C@@H](CNS(C)(=O)=O)CS(C)(=O)=O.
What is the InChIKey of N-[(2S)-3-methylsulfonyl-2-propan-2-yloxypropyl]methanesulfonamide?
The InChIKey is XUVMIWTXSNGSQE-QMMMGPOBSA-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/t8-/m0/s1.
What are the key properties of N-[(2S)-3-methylsulfonyl-2-propan-2-yloxypropyl]methanesulfonamide?
N-[(2S)-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-[(2S)-3-methylsulfonyl-2-propan-2-yloxypropyl]methanesulfonamide is sourced from PubChem (CID 121481103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).