N-[3-[(1R)-2-hydroxy-1-(methylamino)ethyl]phenyl]methanesulfonamide

C10H16N2O3S — CID 134478830

IUPACN-[3-[(1R)-2-hydroxy-1-(methylamino)ethyl]phenyl]methanesulfonamide
SMILESCN[C@@H](CO)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C10H16N2O3S/c1-11-10(7-13)8-4-3-5-9(6-8)12-16(2,14)15/h3-6,10-13H,7H2,1-2H3/t10-/m0/s1
InChIKeyQETWTUROZQSWDT-JTQLQIEISA-N
MW244.32 g/mol
LogP0.31
Rot. Bonds5

About N-[3-[(1R)-2-hydroxy-1-(methylamino)ethyl]phenyl]methanesulfonamide

N-[3-[(1R)-2-hydroxy-1-(methylamino)ethyl]phenyl]methanesulfonamide (PubChem CID 134478830) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[3-[(1R)-2-hydroxy-1-(methylamino)ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1R)-2-hydroxy-1-(methylamino)ethyl]phenyl]methanesulfonamide
PubChem CID134478830
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-[3-[(1R)-2-hydroxy-1-(methylamino)ethyl]phenyl]methanesulfonamide
SMILESCN[C@@H](CO)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C10H16N2O3S/c1-11-10(7-13)8-4-3-5-9(6-8)12-16(2,14)15/h3-6,10-13H,7H2,1-2H3/t10-/m0/s1
InChIKeyQETWTUROZQSWDT-JTQLQIEISA-N
XLogP0.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-2-hydroxy-1-(methylamino)ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(1R)-2-hydroxy-1-(methylamino)ethyl]phenyl]methanesulfonamide (CID 134478830) is N-[3-[(1R)-2-hydroxy-1-(methylamino)ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1R)-2-hydroxy-1-(methylamino)ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(1R)-2-hydroxy-1-(methylamino)ethyl]phenyl]methanesulfonamide is CN[C@@H](CO)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[(1R)-2-hydroxy-1-(methylamino)ethyl]phenyl]methanesulfonamide?
The InChIKey is QETWTUROZQSWDT-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-11-10(7-13)8-4-3-5-9(6-8)12-16(2,14)15/h3-6,10-13H,7H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[3-[(1R)-2-hydroxy-1-(methylamino)ethyl]phenyl]methanesulfonamide?
N-[3-[(1R)-2-hydroxy-1-(methylamino)ethyl]phenyl]methanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-2-hydroxy-1-(methylamino)ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 134478830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).