N-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide

C8H20N2O5S2 — CID 82839573

IUPACN-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide
SMILESCOCCN(CCCN)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C8H20N2O5S2/c1-15-7-6-10(5-3-4-9)17(13,14)8-16(2,11)12/h3-9H2,1-2H3
InChIKeyABXVJZYQGKGMNM-UHFFFAOYSA-N
MW288.39 g/mol
LogP-1.38
Rot. Bonds9

About N-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide

N-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide (PubChem CID 82839573) has the molecular formula C8H20N2O5S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide
PubChem CID82839573
Molecular FormulaC8H20N2O5S2
Molecular Weight288.39 g/mol
Exact Mass288.08
IUPAC NameN-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide
SMILESCOCCN(CCCN)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C8H20N2O5S2/c1-15-7-6-10(5-3-4-9)17(13,14)8-16(2,11)12/h3-9H2,1-2H3
InChIKeyABXVJZYQGKGMNM-UHFFFAOYSA-N
XLogP-1.38
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide
CID 63287729
N'-hydroxy-3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide
CID 82843075
3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide
CID 82842993
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide
CID 63287056
N-(2-methoxyethyl)-N-(3-methoxypropyl)ethanesulfonamide
CID 64585942
2-[[3-aminopropyl(2-methoxyethyl)sulfamoyl]amino]-2-methylpropane
CID 114804003
N-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide
CID 63765608
4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide
CID 103340731
N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide
CID 63287373
N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43137377
N-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 63287461
N-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide
CID 55171323

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide (CID 82839573) is N-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide is COCCN(CCCN)S(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide?
The InChIKey is ABXVJZYQGKGMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O5S2/c1-15-7-6-10(5-3-4-9)17(13,14)8-16(2,11)12/h3-9H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide?
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide has a molecular weight of 288.39 g/mol, XLogP of -1.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82839573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).