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

C11H19ClN4S — CID 71643380

IUPACN-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCSc1nccnc1CN(C)C1CCNC1.Cl
InChIInChI=1S/C11H18N4S.ClH/c1-15(9-3-4-12-7-9)8-10-11(16-2)14-6-5-13-10;/h5-6,9,12H,3-4,7-8H2,1-2H3;1H
InChIKeyIRQZPVCSQQSETJ-UHFFFAOYSA-N
MW274.82 g/mol
LogP1.41
Rot. Bonds4

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

N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 71643380) has the molecular formula C11H19ClN4S and a molecular weight of 274.82 g/mol. Its IUPAC name is N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID71643380
Molecular FormulaC11H19ClN4S
Molecular Weight274.82 g/mol
Exact Mass274.10
IUPAC NameN-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCSc1nccnc1CN(C)C1CCNC1.Cl
InChIInChI=1S/C11H18N4S.ClH/c1-15(9-3-4-12-7-9)8-10-11(16-2)14-6-5-13-10;/h5-6,9,12H,3-4,7-8H2,1-2H3;1H
InChIKeyIRQZPVCSQQSETJ-UHFFFAOYSA-N
XLogP1.41
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641775
(3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641771
(3S)-N-methyl-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71641762
(3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 71643397
N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71643386
N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride
CID 71643384
2-methylsulfanyl-3-(piperidin-4-yloxymethyl)pyrazine
CID 71643465
(3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641686
(3R)-N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methylpyrrolidin-3-amine
CID 71641701
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine
CID 115118911
N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride
CID 71641763

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride (CID 71643380) is N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride is CSc1nccnc1CN(C)C1CCNC1.Cl.
What is the InChIKey of N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is IRQZPVCSQQSETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S.ClH/c1-15(9-3-4-12-7-9)8-10-11(16-2)14-6-5-13-10;/h5-6,9,12H,3-4,7-8H2,1-2H3;1H.
What are the key properties of N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 274.82 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71643380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).