N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide

C9H23N3O3S — CID 62850818

IUPACN-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)NCCN(C)CCOC
InChIInChI=1S/C9H23N3O3S/c1-10-5-9-16(13,14)11-4-6-12(2)7-8-15-3/h10-11H,4-9H2,1-3H3
InChIKeyMZEJDKJDRFBJBV-UHFFFAOYSA-N
MW253.37 g/mol
LogP-1.30
Rot. Bonds10

About N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide

N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide (PubChem CID 62850818) has the molecular formula C9H23N3O3S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide
PubChem CID62850818
Molecular FormulaC9H23N3O3S
Molecular Weight253.37 g/mol
Exact Mass253.15
IUPAC NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)NCCN(C)CCOC
InChIInChI=1S/C9H23N3O3S/c1-10-5-9-16(13,14)11-4-6-12(2)7-8-15-3/h10-11H,4-9H2,1-3H3
InChIKeyMZEJDKJDRFBJBV-UHFFFAOYSA-N
XLogP-1.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114141026
N-[2-[2-methoxyethyl(methyl)amino]ethyl]methanesulfonamide
CID 63714040
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62850113
N-[2-[2-methoxyethyl(methyl)amino]ethyl]piperazine-1-sulfonamide
CID 55126821
4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845055
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106056406
5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide
CID 62843792
2-(2-methoxyethylsulfonyl)-N-methylethanamine
CID 64646513
N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114140768
3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide
CID 79885175
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 62844893
4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid
CID 62843991

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide?
The IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide (CID 62850818) is N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide.
What is the SMILES notation for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide?
The canonical SMILES for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide is CNCCS(=O)(=O)NCCN(C)CCOC.
What is the InChIKey of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide?
The InChIKey is MZEJDKJDRFBJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O3S/c1-10-5-9-16(13,14)11-4-6-12(2)7-8-15-3/h10-11H,4-9H2,1-3H3.
What are the key properties of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide?
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide has a molecular weight of 253.37 g/mol, XLogP of -1.30, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide is sourced from PubChem (CID 62850818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).