2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane

C8H21N3O3S — CID 64539372

IUPAC2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane
SMILESCCN(CC)S(=O)(=O)NCC(N)C(C)O
InChIInChI=1S/C8H21N3O3S/c1-4-11(5-2)15(13,14)10-6-8(9)7(3)12/h7-8,10,12H,4-6,9H2,1-3H3
InChIKeyLEYNMWRAUVXTHU-UHFFFAOYSA-N
MW239.34 g/mol
LogP-1.13
Rot. Bonds7

About 2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane

2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane (PubChem CID 64539372) has the molecular formula C8H21N3O3S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane.

Molecular Properties

Compound Name2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane
PubChem CID64539372
Molecular FormulaC8H21N3O3S
Molecular Weight239.34 g/mol
Exact Mass239.13
IUPAC Name2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane
SMILESCCN(CC)S(=O)(=O)NCC(N)C(C)O
InChIInChI=1S/C8H21N3O3S/c1-4-11(5-2)15(13,14)10-6-8(9)7(3)12/h7-8,10,12H,4-6,9H2,1-3H3
InChIKeyLEYNMWRAUVXTHU-UHFFFAOYSA-N
XLogP-1.13
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane?
The IUPAC name of 2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane (CID 64539372) is 2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane.
What is the SMILES notation for 2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane?
The canonical SMILES for 2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane is CCN(CC)S(=O)(=O)NCC(N)C(C)O.
What is the InChIKey of 2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane?
The InChIKey is LEYNMWRAUVXTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O3S/c1-4-11(5-2)15(13,14)10-6-8(9)7(3)12/h7-8,10,12H,4-6,9H2,1-3H3.
What are the key properties of 2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane?
2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane has a molecular weight of 239.34 g/mol, XLogP of -1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane is sourced from PubChem (CID 64539372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).