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

C12H21ClN4S — CID 71643386

IUPACN-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride
SMILESCSc1nccnc1CN(C)CC1CCCN1.Cl
InChIInChI=1S/C12H20N4S.ClH/c1-16(8-10-4-3-5-13-10)9-11-12(17-2)15-7-6-14-11;/h6-7,10,13H,3-5,8-9H2,1-2H3;1H
InChIKeyYXUDHGZGMKRZDP-UHFFFAOYSA-N
MW288.85 g/mol
LogP1.80
Rot. Bonds5

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

N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride (PubChem CID 71643386) has the molecular formula C12H21ClN4S and a molecular weight of 288.85 g/mol. Its IUPAC name is N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride
PubChem CID71643386
Molecular FormulaC12H21ClN4S
Molecular Weight288.85 g/mol
Exact Mass288.12
IUPAC NameN-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride
SMILESCSc1nccnc1CN(C)CC1CCCN1.Cl
InChIInChI=1S/C12H20N4S.ClH/c1-16(8-10-4-3-5-13-10)9-11-12(17-2)15-7-6-14-11;/h6-7,10,13H,3-5,8-9H2,1-2H3;1H
InChIKeyYXUDHGZGMKRZDP-UHFFFAOYSA-N
XLogP1.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.85
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride
CID 71643384
N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71643444
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 94939254
N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 71643380
N-methyl-1-[(2R)-piperidin-2-yl]-N-(pyrazin-2-ylmethyl)methanamine
CID 97164246
N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 103694929
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 97164371
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642060
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine
CID 106622951

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride?
The IUPAC name of N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride (CID 71643386) is N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride.
What is the SMILES notation for N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride?
The canonical SMILES for N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride is CSc1nccnc1CN(C)CC1CCCN1.Cl.
What is the InChIKey of N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride?
The InChIKey is YXUDHGZGMKRZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S.ClH/c1-16(8-10-4-3-5-13-10)9-11-12(17-2)15-7-6-14-11;/h6-7,10,13H,3-5,8-9H2,1-2H3;1H.
What are the key properties of N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride?
N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride has a molecular weight of 288.85 g/mol, XLogP of 1.80, 5 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]-1-pyrrolidin-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 71643386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).