(3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine

C10H16N4S — CID 71643397

IUPAC(3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine
SMILESCSc1nccnc1CN[C@@H]1CCNC1
InChIInChI=1S/C10H16N4S/c1-15-10-9(12-4-5-13-10)7-14-8-2-3-11-6-8/h4-5,8,11,14H,2-3,6-7H2,1H3/t8-/m1/s1
InChIKeyGGZOBUWFBYRPIF-MRVPVSSYSA-N
MW224.33 g/mol
LogP0.65
Rot. Bonds4

About (3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine

(3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 71643397) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is (3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine
PubChem CID71643397
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name(3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine
SMILESCSc1nccnc1CN[C@@H]1CCNC1
InChIInChI=1S/C10H16N4S/c1-15-10-9(12-4-5-13-10)7-14-8-2-3-11-6-8/h4-5,8,11,14H,2-3,6-7H2,1H3/t8-/m1/s1
InChIKeyGGZOBUWFBYRPIF-MRVPVSSYSA-N
XLogP0.65
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine (CID 71643397) is (3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine is CSc1nccnc1CN[C@@H]1CCNC1.
What is the InChIKey of (3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is GGZOBUWFBYRPIF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-15-10-9(12-4-5-13-10)7-14-8-2-3-11-6-8/h4-5,8,11,14H,2-3,6-7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
(3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 224.33 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71643397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).