N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide

C9H21NO3S — CID 60773925

IUPACN-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide
SMILESCCC(CC)N(CCOC)S(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-5-9(6-2)10(7-8-13-3)14(4,11)12/h9H,5-8H2,1-4H3
InChIKeySYCHUKJQTWJICI-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.08
Rot. Bonds7

About N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide

N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide (PubChem CID 60773925) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide
PubChem CID60773925
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide
SMILESCCC(CC)N(CCOC)S(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-5-9(6-2)10(7-8-13-3)14(4,11)12/h9H,5-8H2,1-4H3
InChIKeySYCHUKJQTWJICI-UHFFFAOYSA-N
XLogP1.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine
CID 78881826
1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide
CID 83084265
N-(2-bromoethyl)-N-pentan-3-ylmethanesulfonamide
CID 80674149
N'-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 55002624
N-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide
CID 62153472
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)propane-2-sulfonamide
CID 64584190
N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 60539885
4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide
CID 62058154
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 64586680
5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60951166
N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide
CID 52620638
2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide
CID 62855963

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide (CID 60773925) is N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide is CCC(CC)N(CCOC)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide?
The InChIKey is SYCHUKJQTWJICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-5-9(6-2)10(7-8-13-3)14(4,11)12/h9H,5-8H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide?
N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide has a molecular weight of 223.34 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide is sourced from PubChem (CID 60773925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).