3-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-(butylsulfonylamino)propanamide

C11H21N5O5S — CID 166862727

IUPAC3-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-(butylsulfonylamino)propanamide
SMILESCCCCS(=O)(=O)NC(CC(N)=O)c1nc([C@@H](N)CO)no1
InChIInChI=1S/C11H21N5O5S/c1-2-3-4-22(19,20)16-8(5-9(13)18)11-14-10(15-21-11)7(12)6-17/h7-8,16-17H,2-6,12H2,1H3,(H2,13,18)/t7-,8?/m0/s1
InChIKeyBFEVXTWLFUNHCO-JAMMHHFISA-N
MW335.39 g/mol
LogP-1.30
Rot. Bonds10

About 3-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-(butylsulfonylamino)propanamide

3-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-(butylsulfonylamino)propanamide (PubChem CID 166862727) has the molecular formula C11H21N5O5S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-(butylsulfonylamino)propanamide.

Molecular Properties

Compound Name3-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-(butylsulfonylamino)propanamide
PubChem CID166862727
Molecular FormulaC11H21N5O5S
Molecular Weight335.39 g/mol
Exact Mass335.13
IUPAC Name3-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-(butylsulfonylamino)propanamide
SMILESCCCCS(=O)(=O)NC(CC(N)=O)c1nc([C@@H](N)CO)no1
InChIInChI=1S/C11H21N5O5S/c1-2-3-4-22(19,20)16-8(5-9(13)18)11-14-10(15-21-11)7(12)6-17/h7-8,16-17H,2-6,12H2,1H3,(H2,13,18)/t7-,8?/m0/s1
InChIKeyBFEVXTWLFUNHCO-JAMMHHFISA-N
XLogP-1.30
TPSA174.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-(butylsulfonylamino)propanamide?
The IUPAC name of 3-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-(butylsulfonylamino)propanamide (CID 166862727) is 3-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-(butylsulfonylamino)propanamide.
What is the SMILES notation for 3-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-(butylsulfonylamino)propanamide?
The canonical SMILES for 3-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-(butylsulfonylamino)propanamide is CCCCS(=O)(=O)NC(CC(N)=O)c1nc([C@@H](N)CO)no1.
What is the InChIKey of 3-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-(butylsulfonylamino)propanamide?
The InChIKey is BFEVXTWLFUNHCO-JAMMHHFISA-N. The full InChI is InChI=1S/C11H21N5O5S/c1-2-3-4-22(19,20)16-8(5-9(13)18)11-14-10(15-21-11)7(12)6-17/h7-8,16-17H,2-6,12H2,1H3,(H2,13,18)/t7-,8?/m0/s1.
What are the key properties of 3-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-(butylsulfonylamino)propanamide?
3-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-(butylsulfonylamino)propanamide has a molecular weight of 335.39 g/mol, XLogP of -1.30, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-(butylsulfonylamino)propanamide is sourced from PubChem (CID 166862727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).