N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide

C13H21NO3S — CID 103924551

IUPACN-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide
SMILESCN(CCCCCO)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H21NO3S/c1-14(10-6-3-7-11-15)18(16,17)12-13-8-4-2-5-9-13/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3
InChIKeyMXZFIESPUXUHTO-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.61
Rot. Bonds8

About N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide

N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide (PubChem CID 103924551) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide
PubChem CID103924551
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide
SMILESCN(CCCCCO)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H21NO3S/c1-14(10-6-3-7-11-15)18(16,17)12-13-8-4-2-5-9-13/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3
InChIKeyMXZFIESPUXUHTO-UHFFFAOYSA-N
XLogP1.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide
CID 107206464
N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide
CID 21297481
N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide
CID 61351029
N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide
CID 94404339
1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide
CID 107203162
2-(2-aminophenyl)sulfanyl-N-(5-hydroxypentyl)-N-methylethanesulfonamide
CID 107197591
[5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene
CID 107319507
4-benzylsulfonylbutan-1-ol
CID 68839757
N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide
CID 102847511
7-hydroxyheptyl phenylmethanesulfonate
CID 178179287
1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
CID 54879646
N-methyl-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 47121805

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide (CID 103924551) is N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide is CN(CCCCCO)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide?
The InChIKey is MXZFIESPUXUHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-14(10-6-3-7-11-15)18(16,17)12-13-8-4-2-5-9-13/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide?
N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide is sourced from PubChem (CID 103924551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).