N-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide

C13H24N4O3S — CID 62153472

IUPACN-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide
SMILESCCC(CC)N(CCOC)S(=O)(=O)c1cnc(NC)nc1
InChIInChI=1S/C13H24N4O3S/c1-5-11(6-2)17(7-8-20-4)21(18,19)12-9-15-13(14-3)16-10-12/h9-11H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyKYWDPVXGEFTTJF-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.34
Rot. Bonds9

About N-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide

N-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide (PubChem CID 62153472) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide
PubChem CID62153472
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC NameN-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide
SMILESCCC(CC)N(CCOC)S(=O)(=O)c1cnc(NC)nc1
InChIInChI=1S/C13H24N4O3S/c1-5-11(6-2)17(7-8-20-4)21(18,19)12-9-15-13(14-3)16-10-12/h9-11H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyKYWDPVXGEFTTJF-UHFFFAOYSA-N
XLogP1.34
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62850113
N,N-dibutyl-2-(methylamino)pyrimidine-5-sulfonamide
CID 62143915
4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide
CID 62058154
N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide
CID 60773925
5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60951166
5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80821249
N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide
CID 52620638
N-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine
CID 78881826
1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide
CID 83084265
2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide
CID 62151483
N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 60539885
N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
CID 62145454

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide (CID 62153472) is N-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide is CCC(CC)N(CCOC)S(=O)(=O)c1cnc(NC)nc1.
What is the InChIKey of N-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide?
The InChIKey is KYWDPVXGEFTTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-5-11(6-2)17(7-8-20-4)21(18,19)12-9-15-13(14-3)16-10-12/h9-11H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of N-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide?
N-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide is sourced from PubChem (CID 62153472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).