N-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide

C11H25NO4S2 — CID 118241784

IUPACN-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide
SMILESCC(C)OC(CNS(C)(=O)=O)C(C)(C)C[S@@](C)=O
InChIInChI=1S/C11H25NO4S2/c1-9(2)16-10(7-12-18(6,14)15)11(3,4)8-17(5)13/h9-10,12H,7-8H2,1-6H3/t10?,17-/m1/s1
InChIKeyRZUPQUIRQTXWBN-NPMYUJNRSA-N
MW299.46 g/mol
LogP0.73
Rot. Bonds8

About N-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide

N-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide (PubChem CID 118241784) has the molecular formula C11H25NO4S2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide
PubChem CID118241784
Molecular FormulaC11H25NO4S2
Molecular Weight299.46 g/mol
Exact Mass299.12
IUPAC NameN-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide
SMILESCC(C)OC(CNS(C)(=O)=O)C(C)(C)C[S@@](C)=O
InChIInChI=1S/C11H25NO4S2/c1-9(2)16-10(7-12-18(6,14)15)11(3,4)8-17(5)13/h9-10,12H,7-8H2,1-6H3/t10?,17-/m1/s1
InChIKeyRZUPQUIRQTXWBN-NPMYUJNRSA-N
XLogP0.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-N-methylmethanesulfonamide
CID 118241749
N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide
CID 118241711
N-[2-(3,3-dimethylbutan-2-yloxy)-5-hydroxy-3,3-dimethylheptyl]methanesulfonamide
CID 88991711
N-(2-ethoxy-3,3-dimethyl-4-methylsulfinylbutyl)-N-methylmethanesulfonamide
CID 118241759
N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide
CID 88991593
N-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide
CID 88991650
N-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide
CID 121481121
N-(2-bromopropyl)methanesulfonamide
CID 114295652
N-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide
CID 118241803
N-(3-chloro-2-methylpropyl)methanesulfonamide
CID 65036670
[(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate
CID 121481056
methyl 2-chloro-3-(methanesulfonamido)propanoate
CID 103493482

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide?
The IUPAC name of N-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide (CID 118241784) is N-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide.
What is the SMILES notation for N-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide?
The canonical SMILES for N-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide is CC(C)OC(CNS(C)(=O)=O)C(C)(C)C[S@@](C)=O.
What is the InChIKey of N-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide?
The InChIKey is RZUPQUIRQTXWBN-NPMYUJNRSA-N. The full InChI is InChI=1S/C11H25NO4S2/c1-9(2)16-10(7-12-18(6,14)15)11(3,4)8-17(5)13/h9-10,12H,7-8H2,1-6H3/t10?,17-/m1/s1.
What are the key properties of N-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide?
N-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide has a molecular weight of 299.46 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide is sourced from PubChem (CID 118241784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).