4-methyl-3-[methylamino(thiolan-2-yl)methyl]pyridin-2-amine

C12H19N3S — CID 80622489

IUPAC4-methyl-3-[methylamino(thiolan-2-yl)methyl]pyridin-2-amine
SMILESCNC(c1c(C)ccnc1N)C1CCCS1
InChIInChI=1S/C12H19N3S/c1-8-5-6-15-12(13)10(8)11(14-2)9-4-3-7-16-9/h5-6,9,11,14H,3-4,7H2,1-2H3,(H2,13,15)
InChIKeyFZSHCJMROUVHRK-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.13
Rot. Bonds3

About 4-methyl-3-[methylamino(thiolan-2-yl)methyl]pyridin-2-amine

4-methyl-3-[methylamino(thiolan-2-yl)methyl]pyridin-2-amine (PubChem CID 80622489) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-methyl-3-[methylamino(thiolan-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-3-[methylamino(thiolan-2-yl)methyl]pyridin-2-amine
PubChem CID80622489
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name4-methyl-3-[methylamino(thiolan-2-yl)methyl]pyridin-2-amine
SMILESCNC(c1c(C)ccnc1N)C1CCCS1
InChIInChI=1S/C12H19N3S/c1-8-5-6-15-12(13)10(8)11(14-2)9-4-3-7-16-9/h5-6,9,11,14H,3-4,7H2,1-2H3,(H2,13,15)
InChIKeyFZSHCJMROUVHRK-UHFFFAOYSA-N
XLogP2.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[methylamino(thian-2-yl)methyl]pyridin-2-amine
CID 80627136
3-[(4-ethylcyclohexyl)-(methylamino)methyl]-4-methylpyridin-2-amine
CID 65392904
4-methyl-3-[methylamino(oxolan-3-yl)methyl]pyridin-2-amine
CID 65329909
3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine
CID 80622128
N-methyl-1-(thiolan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 80622016
3-[(4-ethylcyclohexyl)-hydrazinylmethyl]-4-methylpyridin-2-amine
CID 105231546
N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627741
1-(2-amino-4-methyl-3-pyridinyl)-2-cyclopropylethane-1,2-diol
CID 103456736
1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine
CID 80621667
1-(2-amino-4-methyl-3-pyridinyl)-2-cyclohexylethane-1,2-diol
CID 103458996
N-methyl-1-(2-propan-2-ylpyrazol-3-yl)-1-(thian-2-yl)methanamine
CID 114197696
[(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255377

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[methylamino(thiolan-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-methyl-3-[methylamino(thiolan-2-yl)methyl]pyridin-2-amine (CID 80622489) is 4-methyl-3-[methylamino(thiolan-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-3-[methylamino(thiolan-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-3-[methylamino(thiolan-2-yl)methyl]pyridin-2-amine is CNC(c1c(C)ccnc1N)C1CCCS1.
What is the InChIKey of 4-methyl-3-[methylamino(thiolan-2-yl)methyl]pyridin-2-amine?
The InChIKey is FZSHCJMROUVHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-8-5-6-15-12(13)10(8)11(14-2)9-4-3-7-16-9/h5-6,9,11,14H,3-4,7H2,1-2H3,(H2,13,15).
What are the key properties of 4-methyl-3-[methylamino(thiolan-2-yl)methyl]pyridin-2-amine?
4-methyl-3-[methylamino(thiolan-2-yl)methyl]pyridin-2-amine has a molecular weight of 237.37 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[methylamino(thiolan-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 80622489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).