4-amino-N,N-bis(2-methoxyethyl)butane-1-sulfonamide

C10H24N2O4S — CID 54952670

IUPAC4-amino-N,N-bis(2-methoxyethyl)butane-1-sulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)CCCCN
InChIInChI=1S/C10H24N2O4S/c1-15-8-6-12(7-9-16-2)17(13,14)10-4-3-5-11/h3-11H2,1-2H3
InChIKeySOYQAAVUDHQZFB-UHFFFAOYSA-N
MW268.38 g/mol
LogP-0.35
Rot. Bonds11

About 4-amino-N,N-bis(2-methoxyethyl)butane-1-sulfonamide

4-amino-N,N-bis(2-methoxyethyl)butane-1-sulfonamide (PubChem CID 54952670) has the molecular formula C10H24N2O4S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-amino-N,N-bis(2-methoxyethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N,N-bis(2-methoxyethyl)butane-1-sulfonamide
PubChem CID54952670
Molecular FormulaC10H24N2O4S
Molecular Weight268.38 g/mol
Exact Mass268.15
IUPAC Name4-amino-N,N-bis(2-methoxyethyl)butane-1-sulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)CCCCN
InChIInChI=1S/C10H24N2O4S/c1-15-8-6-12(7-9-16-2)17(13,14)10-4-3-5-11/h3-11H2,1-2H3
InChIKeySOYQAAVUDHQZFB-UHFFFAOYSA-N
XLogP-0.35
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 5-0.35
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 4-amino-N,N-bis(2-methoxyethyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N,N-bis(2-methoxyethyl)butane-1-sulfonamide (CID 54952670) is 4-amino-N,N-bis(2-methoxyethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N,N-bis(2-methoxyethyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N,N-bis(2-methoxyethyl)butane-1-sulfonamide is COCCN(CCOC)S(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N,N-bis(2-methoxyethyl)butane-1-sulfonamide?
The InChIKey is SOYQAAVUDHQZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O4S/c1-15-8-6-12(7-9-16-2)17(13,14)10-4-3-5-11/h3-11H2,1-2H3.
What are the key properties of 4-amino-N,N-bis(2-methoxyethyl)butane-1-sulfonamide?
4-amino-N,N-bis(2-methoxyethyl)butane-1-sulfonamide has a molecular weight of 268.38 g/mol, XLogP of -0.35, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-bis(2-methoxyethyl)butane-1-sulfonamide is sourced from PubChem (CID 54952670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).