N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide

C11H17NO3S — CID 94404339

IUPACN-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide
SMILESC[C@H](O)CN(C)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H17NO3S/c1-10(13)8-12(2)16(14,15)9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3/t10-/m0/s1
InChIKeyYGGZLHRBWSDLDW-JTQLQIEISA-N
MW243.33 g/mol
LogP0.83
Rot. Bonds5

About N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide

N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide (PubChem CID 94404339) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide
PubChem CID94404339
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide
SMILESC[C@H](O)CN(C)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H17NO3S/c1-10(13)8-12(2)16(14,15)9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3/t10-/m0/s1
InChIKeyYGGZLHRBWSDLDW-JTQLQIEISA-N
XLogP0.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide
CID 21297481
N-(2-bromo-3-methoxypropyl)-N-methyl-1-phenylmethanesulfonamide
CID 80673066
N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide
CID 61351029
N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide
CID 103924551
N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride
CID 119982693
1-(5-chloro-2-fluorophenyl)-N-(2-hydroxypropyl)-N-methylmethanesulfonamide
CID 75520048
N-benzyl-N-(2-hydroxypropyl)nitrous amide
CID 12684762
N-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide
CID 107206464
N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide
CID 115902788
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide
CID 79652332
N-methyl-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 47121805
N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide
CID 94605874

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide (CID 94404339) is N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide is C[C@H](O)CN(C)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide?
The InChIKey is YGGZLHRBWSDLDW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17NO3S/c1-10(13)8-12(2)16(14,15)9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide?
N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide is sourced from PubChem (CID 94404339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).