N-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine

C11H17N3S — CID 80723291

IUPACN-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine
SMILESCC1(CNCc2cnccn2)CCCS1
InChIInChI=1S/C11H17N3S/c1-11(3-2-6-15-11)9-13-8-10-7-12-4-5-14-10/h4-5,7,13H,2-3,6,8-9H2,1H3
InChIKeyNAMUTRPRQBAKDV-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.85
Rot. Bonds4

About N-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine

N-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine (PubChem CID 80723291) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine
PubChem CID80723291
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine
SMILESCC1(CNCc2cnccn2)CCCS1
InChIInChI=1S/C11H17N3S/c1-11(3-2-6-15-11)9-13-8-10-7-12-4-5-14-10/h4-5,7,13H,2-3,6,8-9H2,1H3
InChIKeyNAMUTRPRQBAKDV-UHFFFAOYSA-N
XLogP1.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528702
1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 104879343
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528676
N-[(2-methylthiolan-2-yl)methyl]-2-pyridin-3-ylethanamine
CID 80722313
N-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine
CID 80528780
4-[[(2-methylthiolan-2-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103259882
1-(1-tert-butylpyrazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528628
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80524197
1-(5-ethylthiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528559
[5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 80528732
N-[(2-methylthiolan-2-yl)methyl]-1-(2,3,6-trichlorophenyl)methanamine
CID 80726014
1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528815

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine (CID 80723291) is N-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine is CC1(CNCc2cnccn2)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine?
The InChIKey is NAMUTRPRQBAKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-11(3-2-6-15-11)9-13-8-10-7-12-4-5-14-10/h4-5,7,13H,2-3,6,8-9H2,1H3.
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine?
N-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine has a molecular weight of 223.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine is sourced from PubChem (CID 80723291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).