N-[(2R)-2-methoxy-2-phenylbutyl]methanesulfonamide

C12H19NO3S — CID 97428628

IUPACN-[(2R)-2-methoxy-2-phenylbutyl]methanesulfonamide
SMILESCC[C@@](CNS(C)(=O)=O)(OC)c1ccccc1
InChIInChI=1S/C12H19NO3S/c1-4-12(16-2,10-13-17(3,14)15)11-8-6-5-7-9-11/h5-9,13H,4,10H2,1-3H3/t12-/m0/s1
InChIKeyZRNHGDDRVDTUNX-LBPRGKRZSA-N
MW257.35 g/mol
LogP1.49
Rot. Bonds6

About N-[(2R)-2-methoxy-2-phenylbutyl]methanesulfonamide

N-[(2R)-2-methoxy-2-phenylbutyl]methanesulfonamide (PubChem CID 97428628) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-2-phenylbutyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-2-phenylbutyl]methanesulfonamide
PubChem CID97428628
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-[(2R)-2-methoxy-2-phenylbutyl]methanesulfonamide
SMILESCC[C@@](CNS(C)(=O)=O)(OC)c1ccccc1
InChIInChI=1S/C12H19NO3S/c1-4-12(16-2,10-13-17(3,14)15)11-8-6-5-7-9-11/h5-9,13H,4,10H2,1-3H3/t12-/m0/s1
InChIKeyZRNHGDDRVDTUNX-LBPRGKRZSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-2-phenylbutyl]methanesulfonamide?
The IUPAC name of N-[(2R)-2-methoxy-2-phenylbutyl]methanesulfonamide (CID 97428628) is N-[(2R)-2-methoxy-2-phenylbutyl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-2-methoxy-2-phenylbutyl]methanesulfonamide?
The canonical SMILES for N-[(2R)-2-methoxy-2-phenylbutyl]methanesulfonamide is CC[C@@](CNS(C)(=O)=O)(OC)c1ccccc1.
What is the InChIKey of N-[(2R)-2-methoxy-2-phenylbutyl]methanesulfonamide?
The InChIKey is ZRNHGDDRVDTUNX-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-12(16-2,10-13-17(3,14)15)11-8-6-5-7-9-11/h5-9,13H,4,10H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[(2R)-2-methoxy-2-phenylbutyl]methanesulfonamide?
N-[(2R)-2-methoxy-2-phenylbutyl]methanesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxy-2-phenylbutyl]methanesulfonamide is sourced from PubChem (CID 97428628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).