N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide

C11H21N5O3S — CID 62850113

IUPACN-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCCN(C)CCOC)cn1
InChIInChI=1S/C11H21N5O3S/c1-12-11-13-8-10(9-14-11)20(17,18)15-4-5-16(2)6-7-19-3/h8-9,15H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyCJBQRTRTQBPSGR-UHFFFAOYSA-N
MW303.39 g/mol
LogP-0.63
Rot. Bonds9

About N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide

N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 62850113) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID62850113
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCCN(C)CCOC)cn1
InChIInChI=1S/C11H21N5O3S/c1-12-11-13-8-10(9-14-11)20(17,18)15-4-5-16(2)6-7-19-3/h8-9,15H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyCJBQRTRTQBPSGR-UHFFFAOYSA-N
XLogP-0.63
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 64607272
4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845055
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide
CID 62845217
N-[2-(dimethylamino)ethyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327931
4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid
CID 62843991
1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide
CID 106056409
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106056406
2-(methylamino)-N-(4-propan-2-yloxybutyl)pyrimidine-5-sulfonamide
CID 106014818
N-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide
CID 62153472
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 82844183
N-[2-[2-methoxyethyl(methyl)amino]ethyl]methanesulfonamide
CID 63714040
5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide
CID 106056421

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide (CID 62850113) is N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)NCCN(C)CCOC)cn1.
What is the InChIKey of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is CJBQRTRTQBPSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-12-11-13-8-10(9-14-11)20(17,18)15-4-5-16(2)6-7-19-3/h8-9,15H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide?
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 303.39 g/mol, XLogP of -0.63, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62850113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).