N,N-bis(2-ethoxyethyl)-1-(methylamino)propane-2-sulfonamide

C12H28N2O4S — CID 82953041

IUPACN,N-bis(2-ethoxyethyl)-1-(methylamino)propane-2-sulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)C(C)CNC
InChIInChI=1S/C12H28N2O4S/c1-5-17-9-7-14(8-10-18-6-2)19(15,16)12(3)11-13-4/h12-13H,5-11H2,1-4H3
InChIKeyBXWYIJVBTOVQFM-UHFFFAOYSA-N
MW296.43 g/mol
LogP0.30
Rot. Bonds12

About N,N-bis(2-ethoxyethyl)-1-(methylamino)propane-2-sulfonamide

N,N-bis(2-ethoxyethyl)-1-(methylamino)propane-2-sulfonamide (PubChem CID 82953041) has the molecular formula C12H28N2O4S and a molecular weight of 296.43 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)-1-(methylamino)propane-2-sulfonamide
PubChem CID82953041
Molecular FormulaC12H28N2O4S
Molecular Weight296.43 g/mol
Exact Mass296.18
IUPAC NameN,N-bis(2-ethoxyethyl)-1-(methylamino)propane-2-sulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)C(C)CNC
InChIInChI=1S/C12H28N2O4S/c1-5-17-9-7-14(8-10-18-6-2)19(15,16)12(3)11-13-4/h12-13H,5-11H2,1-4H3
InChIKeyBXWYIJVBTOVQFM-UHFFFAOYSA-N
XLogP0.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N,N-bis(2-ethoxyethyl)-1-(methylamino)propane-2-sulfonamide (CID 82953041) is N,N-bis(2-ethoxyethyl)-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N,N-bis(2-ethoxyethyl)-1-(methylamino)propane-2-sulfonamide is CCOCCN(CCOCC)S(=O)(=O)C(C)CNC.
What is the InChIKey of N,N-bis(2-ethoxyethyl)-1-(methylamino)propane-2-sulfonamide?
The InChIKey is BXWYIJVBTOVQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O4S/c1-5-17-9-7-14(8-10-18-6-2)19(15,16)12(3)11-13-4/h12-13H,5-11H2,1-4H3.
What are the key properties of N,N-bis(2-ethoxyethyl)-1-(methylamino)propane-2-sulfonamide?
N,N-bis(2-ethoxyethyl)-1-(methylamino)propane-2-sulfonamide has a molecular weight of 296.43 g/mol, XLogP of 0.30, 12 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)-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 82953041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).