4-amino-N-butyl-N-(2-hydroxyethyl)butane-1-sulfonamide

C10H24N2O3S — CID 61456654

IUPAC4-amino-N-butyl-N-(2-hydroxyethyl)butane-1-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)CCCCN
InChIInChI=1S/C10H24N2O3S/c1-2-3-7-12(8-9-13)16(14,15)10-5-4-6-11/h13H,2-11H2,1H3
InChIKeyOWTZPQYXXNPFOI-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.15
Rot. Bonds10

About 4-amino-N-butyl-N-(2-hydroxyethyl)butane-1-sulfonamide

4-amino-N-butyl-N-(2-hydroxyethyl)butane-1-sulfonamide (PubChem CID 61456654) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-amino-N-butyl-N-(2-hydroxyethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-butyl-N-(2-hydroxyethyl)butane-1-sulfonamide
PubChem CID61456654
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC Name4-amino-N-butyl-N-(2-hydroxyethyl)butane-1-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)CCCCN
InChIInChI=1S/C10H24N2O3S/c1-2-3-7-12(8-9-13)16(14,15)10-5-4-6-11/h13H,2-11H2,1H3
InChIKeyOWTZPQYXXNPFOI-UHFFFAOYSA-N
XLogP0.15
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-butyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-butyl-N-(2-hydroxyethyl)butane-1-sulfonamide (CID 61456654) is 4-amino-N-butyl-N-(2-hydroxyethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-butyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-butyl-N-(2-hydroxyethyl)butane-1-sulfonamide is CCCCN(CCO)S(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-butyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
The InChIKey is OWTZPQYXXNPFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-2-3-7-12(8-9-13)16(14,15)10-5-4-6-11/h13H,2-11H2,1H3.
What are the key properties of 4-amino-N-butyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
4-amino-N-butyl-N-(2-hydroxyethyl)butane-1-sulfonamide has a molecular weight of 252.38 g/mol, XLogP of 0.15, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N-(2-hydroxyethyl)butane-1-sulfonamide is sourced from PubChem (CID 61456654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).