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

C12H14N6O4S — CID 134354824

IUPAC(3S)-3-(cyclopropylsulfonylamino)-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESNC(=O)C[C@H](NS(=O)(=O)C1CC1)c1nc(-c2cnccn2)no1
InChIInChI=1S/C12H14N6O4S/c13-10(19)5-8(18-23(20,21)7-1-2-7)12-16-11(17-22-12)9-6-14-3-4-15-9/h3-4,6-8,18H,1-2,5H2,(H2,13,19)/t8-/m0/s1
InChIKeyKKWBSDRYKLURMK-QMMMGPOBSA-N
MW338.35 g/mol
LogP-0.48
Rot. Bonds7

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

(3S)-3-(cyclopropylsulfonylamino)-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 134354824) has the molecular formula C12H14N6O4S and a molecular weight of 338.35 g/mol. Its IUPAC name is (3S)-3-(cyclopropylsulfonylamino)-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound Name(3S)-3-(cyclopropylsulfonylamino)-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID134354824
Molecular FormulaC12H14N6O4S
Molecular Weight338.35 g/mol
Exact Mass338.08
IUPAC Name(3S)-3-(cyclopropylsulfonylamino)-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESNC(=O)C[C@H](NS(=O)(=O)C1CC1)c1nc(-c2cnccn2)no1
InChIInChI=1S/C12H14N6O4S/c13-10(19)5-8(18-23(20,21)7-1-2-7)12-16-11(17-22-12)9-6-14-3-4-15-9/h3-4,6-8,18H,1-2,5H2,(H2,13,19)/t8-/m0/s1
InChIKeyKKWBSDRYKLURMK-QMMMGPOBSA-N
XLogP-0.48
TPSA153.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(cyclopropylsulfonylamino)-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of (3S)-3-(cyclopropylsulfonylamino)-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 134354824) is (3S)-3-(cyclopropylsulfonylamino)-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for (3S)-3-(cyclopropylsulfonylamino)-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for (3S)-3-(cyclopropylsulfonylamino)-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is NC(=O)C[C@H](NS(=O)(=O)C1CC1)c1nc(-c2cnccn2)no1.
What is the InChIKey of (3S)-3-(cyclopropylsulfonylamino)-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is KKWBSDRYKLURMK-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N6O4S/c13-10(19)5-8(18-23(20,21)7-1-2-7)12-16-11(17-22-12)9-6-14-3-4-15-9/h3-4,6-8,18H,1-2,5H2,(H2,13,19)/t8-/m0/s1.
What are the key properties of (3S)-3-(cyclopropylsulfonylamino)-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
(3S)-3-(cyclopropylsulfonylamino)-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 338.35 g/mol, XLogP of -0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(cyclopropylsulfonylamino)-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 134354824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).