N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide

C13H30N2O4S — CID 82951040

IUPACN,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)CCNC(C)C
InChIInChI=1S/C13H30N2O4S/c1-5-18-10-8-15(9-11-19-6-2)20(16,17)12-7-14-13(3)4/h13-14H,5-12H2,1-4H3
InChIKeyZDBLFSPDWXHODA-UHFFFAOYSA-N
MW310.46 g/mol
LogP0.69
Rot. Bonds13

About N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide

N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 82951040) has the molecular formula C13H30N2O4S and a molecular weight of 310.46 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID82951040
Molecular FormulaC13H30N2O4S
Molecular Weight310.46 g/mol
Exact Mass310.19
IUPAC NameN,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)CCNC(C)C
InChIInChI=1S/C13H30N2O4S/c1-5-18-10-8-15(9-11-19-6-2)20(16,17)12-7-14-13(3)4/h13-14H,5-12H2,1-4H3
InChIKeyZDBLFSPDWXHODA-UHFFFAOYSA-N
XLogP0.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide 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,N-bis(2-ethoxyethyl)ethanesulfonamide
CID 82952267
2-amino-N,N-bis(2-ethoxyethyl)ethanesulfonamide
CID 82952398
N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972654
3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid
CID 82965858
2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
CID 63246255
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 55004039
1-amino-N,N-bis(2-ethoxyethyl)propane-2-sulfonamide
CID 82953278
N-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54986230
N,N-bis(2-ethoxyethyl)-1-(methylamino)propane-2-sulfonamide
CID 82953041
4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 81067945
N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107480985
N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide
CID 165444690

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide (CID 82951040) is N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide is CCOCCN(CCOCC)S(=O)(=O)CCNC(C)C.
What is the InChIKey of N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is ZDBLFSPDWXHODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O4S/c1-5-18-10-8-15(9-11-19-6-2)20(16,17)12-7-14-13(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide?
N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 0.69, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 82951040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).