3-amino-N-butyl-N-(2-hydroxyethyl)propane-1-sulfonamide

C9H22N2O3S — CID 61446896

IUPAC3-amino-N-butyl-N-(2-hydroxyethyl)propane-1-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)CCCN
InChIInChI=1S/C9H22N2O3S/c1-2-3-6-11(7-8-12)15(13,14)9-4-5-10/h12H,2-10H2,1H3
InChIKeyWHAAYIBBQXGLBJ-UHFFFAOYSA-N
MW238.35 g/mol
LogP-0.24
Rot. Bonds9

About 3-amino-N-butyl-N-(2-hydroxyethyl)propane-1-sulfonamide

3-amino-N-butyl-N-(2-hydroxyethyl)propane-1-sulfonamide (PubChem CID 61446896) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 3-amino-N-butyl-N-(2-hydroxyethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-butyl-N-(2-hydroxyethyl)propane-1-sulfonamide
PubChem CID61446896
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name3-amino-N-butyl-N-(2-hydroxyethyl)propane-1-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)CCCN
InChIInChI=1S/C9H22N2O3S/c1-2-3-6-11(7-8-12)15(13,14)9-4-5-10/h12H,2-10H2,1H3
InChIKeyWHAAYIBBQXGLBJ-UHFFFAOYSA-N
XLogP-0.24
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-N-(2-hydroxyethyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-butyl-N-(2-hydroxyethyl)propane-1-sulfonamide (CID 61446896) is 3-amino-N-butyl-N-(2-hydroxyethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-butyl-N-(2-hydroxyethyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-butyl-N-(2-hydroxyethyl)propane-1-sulfonamide is CCCCN(CCO)S(=O)(=O)CCCN.
What is the InChIKey of 3-amino-N-butyl-N-(2-hydroxyethyl)propane-1-sulfonamide?
The InChIKey is WHAAYIBBQXGLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-2-3-6-11(7-8-12)15(13,14)9-4-5-10/h12H,2-10H2,1H3.
What are the key properties of 3-amino-N-butyl-N-(2-hydroxyethyl)propane-1-sulfonamide?
3-amino-N-butyl-N-(2-hydroxyethyl)propane-1-sulfonamide has a molecular weight of 238.35 g/mol, XLogP of -0.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-N-(2-hydroxyethyl)propane-1-sulfonamide is sourced from PubChem (CID 61446896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).