(3S)-1-[(1R)-1-pyrazin-2-ylethyl]sulfonylpiperidin-3-amine

C11H18N4O2S — CID 129372965

IUPAC(3S)-1-[(1R)-1-pyrazin-2-ylethyl]sulfonylpiperidin-3-amine
SMILESC[C@H](c1cnccn1)S(=O)(=O)N1CCC[C@H](N)C1
InChIInChI=1S/C11H18N4O2S/c1-9(11-7-13-4-5-14-11)18(16,17)15-6-2-3-10(12)8-15/h4-5,7,9-10H,2-3,6,8,12H2,1H3/t9-,10+/m1/s1
InChIKeyGAXVHFJKGLRKSM-ZJUUUORDSA-N
MW270.36 g/mol
LogP0.29
Rot. Bonds3

About (3S)-1-[(1R)-1-pyrazin-2-ylethyl]sulfonylpiperidin-3-amine

(3S)-1-[(1R)-1-pyrazin-2-ylethyl]sulfonylpiperidin-3-amine (PubChem CID 129372965) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is (3S)-1-[(1R)-1-pyrazin-2-ylethyl]sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(1R)-1-pyrazin-2-ylethyl]sulfonylpiperidin-3-amine
PubChem CID129372965
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name(3S)-1-[(1R)-1-pyrazin-2-ylethyl]sulfonylpiperidin-3-amine
SMILESC[C@H](c1cnccn1)S(=O)(=O)N1CCC[C@H](N)C1
InChIInChI=1S/C11H18N4O2S/c1-9(11-7-13-4-5-14-11)18(16,17)15-6-2-3-10(12)8-15/h4-5,7,9-10H,2-3,6,8,12H2,1H3/t9-,10+/m1/s1
InChIKeyGAXVHFJKGLRKSM-ZJUUUORDSA-N
XLogP0.29
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1R)-1-pyrazin-2-ylethyl]sulfonylpiperidin-3-amine?
The IUPAC name of (3S)-1-[(1R)-1-pyrazin-2-ylethyl]sulfonylpiperidin-3-amine (CID 129372965) is (3S)-1-[(1R)-1-pyrazin-2-ylethyl]sulfonylpiperidin-3-amine.
What is the SMILES notation for (3S)-1-[(1R)-1-pyrazin-2-ylethyl]sulfonylpiperidin-3-amine?
The canonical SMILES for (3S)-1-[(1R)-1-pyrazin-2-ylethyl]sulfonylpiperidin-3-amine is C[C@H](c1cnccn1)S(=O)(=O)N1CCC[C@H](N)C1.
What is the InChIKey of (3S)-1-[(1R)-1-pyrazin-2-ylethyl]sulfonylpiperidin-3-amine?
The InChIKey is GAXVHFJKGLRKSM-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-9(11-7-13-4-5-14-11)18(16,17)15-6-2-3-10(12)8-15/h4-5,7,9-10H,2-3,6,8,12H2,1H3/t9-,10+/m1/s1.
What are the key properties of (3S)-1-[(1R)-1-pyrazin-2-ylethyl]sulfonylpiperidin-3-amine?
(3S)-1-[(1R)-1-pyrazin-2-ylethyl]sulfonylpiperidin-3-amine has a molecular weight of 270.36 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1R)-1-pyrazin-2-ylethyl]sulfonylpiperidin-3-amine is sourced from PubChem (CID 129372965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).