[(2R,3R)-4-amino-2-ethyl-3-hydroxybutyl] sulfamate

C6H16N2O4S — CID 139354548

IUPAC[(2R,3R)-4-amino-2-ethyl-3-hydroxybutyl] sulfamate
SMILESCC[C@H](COS(N)(=O)=O)[C@@H](O)CN
InChIInChI=1S/C6H16N2O4S/c1-2-5(6(9)3-7)4-12-13(8,10)11/h5-6,9H,2-4,7H2,1H3,(H2,8,10,11)/t5-,6+/m1/s1
InChIKeyNNJHYOZIENTJAY-RITPCOANSA-N
MW212.27 g/mol
LogP-1.45
Rot. Bonds6

About [(2R,3R)-4-amino-2-ethyl-3-hydroxybutyl] sulfamate

[(2R,3R)-4-amino-2-ethyl-3-hydroxybutyl] sulfamate (PubChem CID 139354548) has the molecular formula C6H16N2O4S and a molecular weight of 212.27 g/mol. Its IUPAC name is [(2R,3R)-4-amino-2-ethyl-3-hydroxybutyl] sulfamate.

Molecular Properties

Compound Name[(2R,3R)-4-amino-2-ethyl-3-hydroxybutyl] sulfamate
PubChem CID139354548
Molecular FormulaC6H16N2O4S
Molecular Weight212.27 g/mol
Exact Mass212.08
IUPAC Name[(2R,3R)-4-amino-2-ethyl-3-hydroxybutyl] sulfamate
SMILESCC[C@H](COS(N)(=O)=O)[C@@H](O)CN
InChIInChI=1S/C6H16N2O4S/c1-2-5(6(9)3-7)4-12-13(8,10)11/h5-6,9H,2-4,7H2,1H3,(H2,8,10,11)/t5-,6+/m1/s1
InChIKeyNNJHYOZIENTJAY-RITPCOANSA-N
XLogP-1.45
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-4-amino-2-ethyl-3-hydroxybutyl] sulfamate?
The IUPAC name of [(2R,3R)-4-amino-2-ethyl-3-hydroxybutyl] sulfamate (CID 139354548) is [(2R,3R)-4-amino-2-ethyl-3-hydroxybutyl] sulfamate.
What is the SMILES notation for [(2R,3R)-4-amino-2-ethyl-3-hydroxybutyl] sulfamate?
The canonical SMILES for [(2R,3R)-4-amino-2-ethyl-3-hydroxybutyl] sulfamate is CC[C@H](COS(N)(=O)=O)[C@@H](O)CN.
What is the InChIKey of [(2R,3R)-4-amino-2-ethyl-3-hydroxybutyl] sulfamate?
The InChIKey is NNJHYOZIENTJAY-RITPCOANSA-N. The full InChI is InChI=1S/C6H16N2O4S/c1-2-5(6(9)3-7)4-12-13(8,10)11/h5-6,9H,2-4,7H2,1H3,(H2,8,10,11)/t5-,6+/m1/s1.
What are the key properties of [(2R,3R)-4-amino-2-ethyl-3-hydroxybutyl] sulfamate?
[(2R,3R)-4-amino-2-ethyl-3-hydroxybutyl] sulfamate has a molecular weight of 212.27 g/mol, XLogP of -1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-4-amino-2-ethyl-3-hydroxybutyl] sulfamate is sourced from PubChem (CID 139354548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).