3-(1-ethylsulfonylpropan-2-ylamino)pyrazine-2-carbonitrile

C10H14N4O2S — CID 56789852

IUPAC3-(1-ethylsulfonylpropan-2-ylamino)pyrazine-2-carbonitrile
SMILESCCS(=O)(=O)CC(C)Nc1nccnc1C#N
InChIInChI=1S/C10H14N4O2S/c1-3-17(15,16)7-8(2)14-10-9(6-11)12-4-5-13-10/h4-5,8H,3,7H2,1-2H3,(H,13,14)
InChIKeyMKYZGLZEXFXXAM-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.58
Rot. Bonds5

About 3-(1-ethylsulfonylpropan-2-ylamino)pyrazine-2-carbonitrile

3-(1-ethylsulfonylpropan-2-ylamino)pyrazine-2-carbonitrile (PubChem CID 56789852) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-(1-ethylsulfonylpropan-2-ylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(1-ethylsulfonylpropan-2-ylamino)pyrazine-2-carbonitrile
PubChem CID56789852
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name3-(1-ethylsulfonylpropan-2-ylamino)pyrazine-2-carbonitrile
SMILESCCS(=O)(=O)CC(C)Nc1nccnc1C#N
InChIInChI=1S/C10H14N4O2S/c1-3-17(15,16)7-8(2)14-10-9(6-11)12-4-5-13-10/h4-5,8H,3,7H2,1-2H3,(H,13,14)
InChIKeyMKYZGLZEXFXXAM-UHFFFAOYSA-N
XLogP0.58
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylsulfonylpropan-2-ylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(1-ethylsulfonylpropan-2-ylamino)pyrazine-2-carbonitrile (CID 56789852) is 3-(1-ethylsulfonylpropan-2-ylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(1-ethylsulfonylpropan-2-ylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(1-ethylsulfonylpropan-2-ylamino)pyrazine-2-carbonitrile is CCS(=O)(=O)CC(C)Nc1nccnc1C#N.
What is the InChIKey of 3-(1-ethylsulfonylpropan-2-ylamino)pyrazine-2-carbonitrile?
The InChIKey is MKYZGLZEXFXXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-3-17(15,16)7-8(2)14-10-9(6-11)12-4-5-13-10/h4-5,8H,3,7H2,1-2H3,(H,13,14).
What are the key properties of 3-(1-ethylsulfonylpropan-2-ylamino)pyrazine-2-carbonitrile?
3-(1-ethylsulfonylpropan-2-ylamino)pyrazine-2-carbonitrile has a molecular weight of 254.31 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylsulfonylpropan-2-ylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 56789852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).