2-amino-N-butyl-N-(2-hydroxyethyl)ethanesulfonamide

C8H20N2O3S — CID 61446866

IUPAC2-amino-N-butyl-N-(2-hydroxyethyl)ethanesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)CCN
InChIInChI=1S/C8H20N2O3S/c1-2-3-5-10(6-7-11)14(12,13)8-4-9/h11H,2-9H2,1H3
InChIKeyXJOLBDYUJKNIRO-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.63
Rot. Bonds8

About 2-amino-N-butyl-N-(2-hydroxyethyl)ethanesulfonamide

2-amino-N-butyl-N-(2-hydroxyethyl)ethanesulfonamide (PubChem CID 61446866) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-amino-N-butyl-N-(2-hydroxyethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-butyl-N-(2-hydroxyethyl)ethanesulfonamide
PubChem CID61446866
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name2-amino-N-butyl-N-(2-hydroxyethyl)ethanesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)CCN
InChIInChI=1S/C8H20N2O3S/c1-2-3-5-10(6-7-11)14(12,13)8-4-9/h11H,2-9H2,1H3
InChIKeyXJOLBDYUJKNIRO-UHFFFAOYSA-N
XLogP-0.63
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-N-(2-hydroxyethyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-butyl-N-(2-hydroxyethyl)ethanesulfonamide (CID 61446866) is 2-amino-N-butyl-N-(2-hydroxyethyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-butyl-N-(2-hydroxyethyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-butyl-N-(2-hydroxyethyl)ethanesulfonamide is CCCCN(CCO)S(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-butyl-N-(2-hydroxyethyl)ethanesulfonamide?
The InChIKey is XJOLBDYUJKNIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-2-3-5-10(6-7-11)14(12,13)8-4-9/h11H,2-9H2,1H3.
What are the key properties of 2-amino-N-butyl-N-(2-hydroxyethyl)ethanesulfonamide?
2-amino-N-butyl-N-(2-hydroxyethyl)ethanesulfonamide has a molecular weight of 224.33 g/mol, XLogP of -0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-N-(2-hydroxyethyl)ethanesulfonamide is sourced from PubChem (CID 61446866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).