[(3S)-1-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine

C11H18N4S — CID 97165030

IUPAC[(3S)-1-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCSc1nccnc1CN1CC[C@@H](CN)C1
InChIInChI=1S/C11H18N4S/c1-16-11-10(13-3-4-14-11)8-15-5-2-9(6-12)7-15/h3-4,9H,2,5-8,12H2,1H3/t9-/m0/s1
InChIKeyHUSIDOXBOFNLDE-VIFPVBQESA-N
MW238.36 g/mol
LogP0.98
Rot. Bonds4

About [(3S)-1-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine

[(3S)-1-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 97165030) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is [(3S)-1-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-1-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID97165030
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name[(3S)-1-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCSc1nccnc1CN1CC[C@@H](CN)C1
InChIInChI=1S/C11H18N4S/c1-16-11-10(13-3-4-14-11)8-15-5-2-9(6-12)7-15/h3-4,9H,2,5-8,12H2,1H3/t9-/m0/s1
InChIKeyHUSIDOXBOFNLDE-VIFPVBQESA-N
XLogP0.98
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 71644949
[(3R)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 97165661
[(3S)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 97164834
[1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 71642940
[1-[(3-methylsulfanylpyrazin-2-yl)methyl]piperidin-2-yl]methanamine
CID 71643423
2-[(3-methoxyazetidin-1-yl)methyl]-3-methylsulfanylpyrazine
CID 151763093
[1-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 103438151
[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62134988
[1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 55146596
[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62068987
[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644926
[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 62994364

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S)-1-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine (CID 97165030) is [(3S)-1-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-1-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S)-1-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine is CSc1nccnc1CN1CC[C@@H](CN)C1.
What is the InChIKey of [(3S)-1-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is HUSIDOXBOFNLDE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4S/c1-16-11-10(13-3-4-14-11)8-15-5-2-9(6-12)7-15/h3-4,9H,2,5-8,12H2,1H3/t9-/m0/s1.
What are the key properties of [(3S)-1-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine?
[(3S)-1-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 238.36 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 97165030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).