(3S)-3-(butylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide

C13H18N6O4S — CID 134358078

IUPAC(3S)-3-(butylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCCCS(=O)(=O)N[C@@H](CC(N)=O)c1nnc(-c2cnccn2)o1
InChIInChI=1S/C13H18N6O4S/c1-2-3-6-24(21,22)19-9(7-11(14)20)12-17-18-13(23-12)10-8-15-4-5-16-10/h4-5,8-9,19H,2-3,6-7H2,1H3,(H2,14,20)/t9-/m0/s1
InChIKeyNDDSMKUOQRENCY-VIFPVBQESA-N
MW354.39 g/mol
LogP0.16
Rot. Bonds9

About (3S)-3-(butylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide

(3S)-3-(butylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 134358078) has the molecular formula C13H18N6O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is (3S)-3-(butylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(3S)-3-(butylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID134358078
Molecular FormulaC13H18N6O4S
Molecular Weight354.39 g/mol
Exact Mass354.11
IUPAC Name(3S)-3-(butylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCCCS(=O)(=O)N[C@@H](CC(N)=O)c1nnc(-c2cnccn2)o1
InChIInChI=1S/C13H18N6O4S/c1-2-3-6-24(21,22)19-9(7-11(14)20)12-17-18-13(23-12)10-8-15-4-5-16-10/h4-5,8-9,19H,2-3,6-7H2,1H3,(H2,14,20)/t9-/m0/s1
InChIKeyNDDSMKUOQRENCY-VIFPVBQESA-N
XLogP0.16
TPSA153.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(butylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of (3S)-3-(butylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 134358078) is (3S)-3-(butylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for (3S)-3-(butylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for (3S)-3-(butylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide is CCCCS(=O)(=O)N[C@@H](CC(N)=O)c1nnc(-c2cnccn2)o1.
What is the InChIKey of (3S)-3-(butylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is NDDSMKUOQRENCY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N6O4S/c1-2-3-6-24(21,22)19-9(7-11(14)20)12-17-18-13(23-12)10-8-15-4-5-16-10/h4-5,8-9,19H,2-3,6-7H2,1H3,(H2,14,20)/t9-/m0/s1.
What are the key properties of (3S)-3-(butylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
(3S)-3-(butylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 354.39 g/mol, XLogP of 0.16, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(butylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 134358078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).