[1-(6-aminopyrazin-2-yl)pyrrolidin-3-yl]methanesulfonamide

C9H15N5O2S — CID 146039324

IUPAC[1-(6-aminopyrazin-2-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESNc1cncc(N2CCC(CS(N)(=O)=O)C2)n1
InChIInChI=1S/C9H15N5O2S/c10-8-3-12-4-9(13-8)14-2-1-7(5-14)6-17(11,15)16/h3-4,7H,1-2,5-6H2,(H2,10,13)(H2,11,15,16)
InChIKeyXKCVRCCAELOEMJ-UHFFFAOYSA-N
MW257.32 g/mol
LogP-0.83
Rot. Bonds3

About [1-(6-aminopyrazin-2-yl)pyrrolidin-3-yl]methanesulfonamide

[1-(6-aminopyrazin-2-yl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 146039324) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is [1-(6-aminopyrazin-2-yl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(6-aminopyrazin-2-yl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID146039324
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC Name[1-(6-aminopyrazin-2-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESNc1cncc(N2CCC(CS(N)(=O)=O)C2)n1
InChIInChI=1S/C9H15N5O2S/c10-8-3-12-4-9(13-8)14-2-1-7(5-14)6-17(11,15)16/h3-4,7H,1-2,5-6H2,(H2,10,13)(H2,11,15,16)
InChIKeyXKCVRCCAELOEMJ-UHFFFAOYSA-N
XLogP-0.83
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(6-aminopyrazin-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(6-aminopyrazin-2-yl)pyrrolidin-3-yl]methanesulfonamide (CID 146039324) is [1-(6-aminopyrazin-2-yl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(6-aminopyrazin-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(6-aminopyrazin-2-yl)pyrrolidin-3-yl]methanesulfonamide is Nc1cncc(N2CCC(CS(N)(=O)=O)C2)n1.
What is the InChIKey of [1-(6-aminopyrazin-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is XKCVRCCAELOEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c10-8-3-12-4-9(13-8)14-2-1-7(5-14)6-17(11,15)16/h3-4,7H,1-2,5-6H2,(H2,10,13)(H2,11,15,16).
What are the key properties of [1-(6-aminopyrazin-2-yl)pyrrolidin-3-yl]methanesulfonamide?
[1-(6-aminopyrazin-2-yl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 257.32 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-aminopyrazin-2-yl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 146039324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).