N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride

C11H19ClN4S — CID 71643444

IUPACN-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride
SMILESCSc1nccnc1CNCC1CCCN1.Cl
InChIInChI=1S/C11H18N4S.ClH/c1-16-11-10(14-5-6-15-11)8-12-7-9-3-2-4-13-9;/h5-6,9,12-13H,2-4,7-8H2,1H3;1H
InChIKeyMDVMXLIJWFRDNM-UHFFFAOYSA-N
MW274.82 g/mol
LogP1.46
Rot. Bonds5

About N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride

N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride (PubChem CID 71643444) has the molecular formula C11H19ClN4S and a molecular weight of 274.82 g/mol. Its IUPAC name is N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride
PubChem CID71643444
Molecular FormulaC11H19ClN4S
Molecular Weight274.82 g/mol
Exact Mass274.10
IUPAC NameN-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride
SMILESCSc1nccnc1CNCC1CCCN1.Cl
InChIInChI=1S/C11H18N4S.ClH/c1-16-11-10(14-5-6-15-11)8-12-7-9-3-2-4-13-9;/h5-6,9,12-13H,2-4,7-8H2,1H3;1H
InChIKeyMDVMXLIJWFRDNM-UHFFFAOYSA-N
XLogP1.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxypyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642976
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
N-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine
CID 97163969
(3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 71643397
N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208233
N-[(4-fluorophenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86329810
N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329812
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643330
N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86319081
1-pyrrolidin-2-yl-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 106638235
N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine
CID 106634516

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride?
The IUPAC name of N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride (CID 71643444) is N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride is CSc1nccnc1CNCC1CCCN1.Cl.
What is the InChIKey of N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride?
The InChIKey is MDVMXLIJWFRDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S.ClH/c1-16-11-10(14-5-6-15-11)8-12-7-9-3-2-4-13-9;/h5-6,9,12-13H,2-4,7-8H2,1H3;1H.
What are the key properties of N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride?
N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride has a molecular weight of 274.82 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 71643444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).