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

C11H26N2O4S — CID 82953278

IUPAC1-amino-N,N-bis(2-ethoxyethyl)propane-2-sulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)C(C)CN
InChIInChI=1S/C11H26N2O4S/c1-4-16-8-6-13(7-9-17-5-2)18(14,15)11(3)10-12/h11H,4-10,12H2,1-3H3
InChIKeyIJRAFQDMXJGEOG-UHFFFAOYSA-N
MW282.41 g/mol
LogP0.04
Rot. Bonds11

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

1-amino-N,N-bis(2-ethoxyethyl)propane-2-sulfonamide (PubChem CID 82953278) has the molecular formula C11H26N2O4S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-amino-N,N-bis(2-ethoxyethyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N,N-bis(2-ethoxyethyl)propane-2-sulfonamide
PubChem CID82953278
Molecular FormulaC11H26N2O4S
Molecular Weight282.41 g/mol
Exact Mass282.16
IUPAC Name1-amino-N,N-bis(2-ethoxyethyl)propane-2-sulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)C(C)CN
InChIInChI=1S/C11H26N2O4S/c1-4-16-8-6-13(7-9-17-5-2)18(14,15)11(3)10-12/h11H,4-10,12H2,1-3H3
InChIKeyIJRAFQDMXJGEOG-UHFFFAOYSA-N
XLogP0.04
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 50.04
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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Related Compounds

N,N-bis(2-ethoxyethyl)-1-(methylamino)propane-2-sulfonamide
CID 82953041
2-[bis(2-ethoxyethyl)sulfamoyl]propanethioamide
CID 82965583
N,N-bis(2-ethoxyethyl)ethanesulfonamide
CID 82952267
2-amino-N,N-bis(2-ethoxyethyl)ethanesulfonamide
CID 82952398
N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 82951040
N-(2-ethoxyethyl)-1-hydroxy-N-methylpropane-2-sulfonamide
CID 81074102
N-(2-ethoxyethyl)-N-propan-2-ylpropan-2-amine
CID 575118
4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82964992
N'-(2-ethoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43457099
3-[bis(2-ethoxyethyl)sulfamoyl-methylamino]propanoic acid
CID 82960749
N,N-bis(2-ethoxyethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 3706171
N',N'-bis(2-ethoxyethyl)-2-(2-methylpropyl)propane-1,3-diamine
CID 82953791

Frequently Asked Questions

What is the IUPAC name of 1-amino-N,N-bis(2-ethoxyethyl)propane-2-sulfonamide?
The IUPAC name of 1-amino-N,N-bis(2-ethoxyethyl)propane-2-sulfonamide (CID 82953278) is 1-amino-N,N-bis(2-ethoxyethyl)propane-2-sulfonamide.
What is the SMILES notation for 1-amino-N,N-bis(2-ethoxyethyl)propane-2-sulfonamide?
The canonical SMILES for 1-amino-N,N-bis(2-ethoxyethyl)propane-2-sulfonamide is CCOCCN(CCOCC)S(=O)(=O)C(C)CN.
What is the InChIKey of 1-amino-N,N-bis(2-ethoxyethyl)propane-2-sulfonamide?
The InChIKey is IJRAFQDMXJGEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O4S/c1-4-16-8-6-13(7-9-17-5-2)18(14,15)11(3)10-12/h11H,4-10,12H2,1-3H3.
What are the key properties of 1-amino-N,N-bis(2-ethoxyethyl)propane-2-sulfonamide?
1-amino-N,N-bis(2-ethoxyethyl)propane-2-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 0.04, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N,N-bis(2-ethoxyethyl)propane-2-sulfonamide is sourced from PubChem (CID 82953278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).