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

C13H17N7O5S — CID 134358103

IUPAC(3S)-3-(morpholin-4-ylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESNC(=O)C[C@H](NS(=O)(=O)N1CCOCC1)c1nnc(-c2cnccn2)o1
InChIInChI=1S/C13H17N7O5S/c14-11(21)7-9(19-26(22,23)20-3-5-24-6-4-20)12-17-18-13(25-12)10-8-15-1-2-16-10/h1-2,8-9,19H,3-7H2,(H2,14,21)/t9-/m0/s1
InChIKeyYXUOKPIDTOOJLX-VIFPVBQESA-N
MW383.39 g/mol
LogP-1.39
Rot. Bonds7

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

(3S)-3-(morpholin-4-ylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 134358103) has the molecular formula C13H17N7O5S and a molecular weight of 383.39 g/mol. Its IUPAC name is (3S)-3-(morpholin-4-ylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(3S)-3-(morpholin-4-ylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID134358103
Molecular FormulaC13H17N7O5S
Molecular Weight383.39 g/mol
Exact Mass383.10
IUPAC Name(3S)-3-(morpholin-4-ylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESNC(=O)C[C@H](NS(=O)(=O)N1CCOCC1)c1nnc(-c2cnccn2)o1
InChIInChI=1S/C13H17N7O5S/c14-11(21)7-9(19-26(22,23)20-3-5-24-6-4-20)12-17-18-13(25-12)10-8-15-1-2-16-10/h1-2,8-9,19H,3-7H2,(H2,14,21)/t9-/m0/s1
InChIKeyYXUOKPIDTOOJLX-VIFPVBQESA-N
XLogP-1.39
TPSA166.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

CID 46835762
CID 46835762
CID 134358059
CID 134358059
CID 134358078
CID 134358078
CID 134358085
CID 134358085
CID 134358210
CID 134358210
CID 142305411
CID 142305411
CID 82669654
CID 82669654
CID 82669655
CID 82669655
CID 124203605
CID 124203605
CID 126971492
CID 126971492

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(morpholin-4-ylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of (3S)-3-(morpholin-4-ylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 134358103) is (3S)-3-(morpholin-4-ylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for (3S)-3-(morpholin-4-ylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for (3S)-3-(morpholin-4-ylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide is NC(=O)C[C@H](NS(=O)(=O)N1CCOCC1)c1nnc(-c2cnccn2)o1.
What is the InChIKey of (3S)-3-(morpholin-4-ylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is YXUOKPIDTOOJLX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N7O5S/c14-11(21)7-9(19-26(22,23)20-3-5-24-6-4-20)12-17-18-13(25-12)10-8-15-1-2-16-10/h1-2,8-9,19H,3-7H2,(H2,14,21)/t9-/m0/s1.
What are the key properties of (3S)-3-(morpholin-4-ylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
(3S)-3-(morpholin-4-ylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 383.39 g/mol, XLogP of -1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(morpholin-4-ylsulfonylamino)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 134358103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).